From chemistry-request@server.ccl.net Mon Oct 28 02:22:46 2002 Received: from ns-0.mssm.edu ([146.203.100.14]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g9S7Mkv30465 for ; Mon, 28 Oct 2002 02:22:46 -0500 Received: from CONVERSION-DAEMON.ns-0.mssm.edu by ns-0.mssm.edu (PMDF V6.1 #38773) id <0H4O00701KHY95@ns-0.mssm.edu> for CHEMISTRY@ccl.net; Mon, 28 Oct 2002 02:22:46 -0500 (EST) Received: from ROTATEGX400 ([146.203.3.181]) by ns-0.mssm.edu (PMDF V6.1 #38773) with SMTP id <0H4O0067EKHXHA@ns-0.mssm.edu> for CHEMISTRY@ccl.net; Mon, 28 Oct 2002 02:22:45 -0500 (EST) Date: Mon, 28 Oct 2002 02:23:35 -0500 From: Joshua Speidel Subject: CHARMM Temperature calculation.. To: CHEMISTRY@ccl.net Message-id: MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft MimeOLE V5.50.4910.0300 X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2911.0) Content-type: text/plain; charset=iso-8859-1 Content-transfer-encoding: 7bit Importance: Normal X-Priority: 3 (Normal) X-MSMail-priority: Normal Hi All, I'm trying to calculate the average temperature of the water in my system over the course of my simulation. My procedure is this: I generate my psf and read my starting coordinates in, and then I open my velocity trajectory. After that I use these commands: CORREL MAXA 50000 INBF 0 ENTER WAT1 TEMP TRAJ FIRSTU 13 NUNI 1 SELE RESN TIP3 end VELO OPEN UNIT 60 CARD NAME "ALL_water_temp.txt" WRITE WRITE WAT1 UNIT 60 CARD * TEMPERATURE * and although I get no errors, the average temp is "inf" and the fluctuation is 0.00. I'm pretty sure that it's something simple that I'm missing, but if you know either why what I'm doing isn't working, or a better way to accomplish it, I would greatly appreciate your help. Thanks! Josh From chemistry-request@server.ccl.net Mon Oct 28 05:33:01 2002 Received: from 263.sina.com ([202.106.182.141]) by server.ccl.net (8.11.6/8.11.0) with SMTP id g9SAX0v01354 for ; Mon, 28 Oct 2002 05:33:01 -0500 Received: (qmail 89251 invoked from network); 28 Oct 2002 10:19:59 -0000 Received: from unknown (HELO 263.sina.com) (162.105.161.3) by 202.106.182.141 with SMTP; 28 Oct 2002 10:19:59 -0000 Message-ID: <3DBD14B4.3030303@263.sina.com> Date: Mon, 28 Oct 2002 18:43:00 +0800 From: Chen Hao User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0.1) Gecko/20020830 X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry@server.ccl.net Subject: Temperature Control in NAMD Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Dear all: I used temperature coupling to control temperature in NAMD. But when I set temperature for heat bath to 298K, I found after 2000-3000 steps the termerature could stabilize to 298K(I set inital temp. to 298K, during the simulation temp. increased to about 318K quickly and then decreased to 298K slowly). what's the matter? If I used it to do a equilibrate simulation(system is temperature sensitive), would the first few thousand steps have any influence? Chen Hao From chemistry-request@server.ccl.net Mon Oct 28 03:09:22 2002 Received: from tigris.klte.hu ([193.6.138.33]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g9S89Lv31305 for ; Mon, 28 Oct 2002 03:09:21 -0500 Received: from cthulhu (193.6.133.59) by tigris.klte.hu (MX V5.1-A Vn6f) with SMTP; Mon, 28 Oct 2002 09:09:47 +0200 Message-ID: <002201c27e59$c2acf860$0100007f@cthulhu> From: "Tamas E. Gunda" To: "Victor Ferro" , References: <5.0.2.1.1.20021025091218.02247bc0@pop.uam.es> Subject: Re: CCL:Fwd: File convertion Date: Mon, 28 Oct 2002 09:12:29 +0100 MIME-Version: 1.0 Content-Type: multipart/mixed; boundary="----=_NextPart_000_001F_01C27E62.2418B910" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.50.4807.1700 X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4910.0300 This is a multi-part message in MIME format. ------=_NextPart_000_001F_01C27E62.2418B910 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit Please find the attached molfile in MDL's mol format; it was converted with Mol2Mol Tamas Gunda ----- Original Message ----- From: "Victor Ferro" To: Sent: Friday, October 25, 2002 08:13 Subject: CCL:Fwd: File convertion > > >>>>Dear colleagues: > >>>>I have attempted to convert the geometry contained in the attached file > >>>>to cartesian (or internal) coordinates using Babel, but I have not > >>>>achieved to make it. > >>>>Would someone help me, please. > >>>>I will be very gratefully. > >>>>Thank you in advance > >>>> > >>>>Victor Ferro. > ---------------cut here-------------- CSD_CIF_PHTLBC Mol2Mol 10280209083D 44 52 0 0 0 0 0 0 0 0999 V2000 3.5217 3.7060 0.6113 B 0 0 0 0 0 0 0 0 0 3.8042 3.7060 2.4534 Cl 0 0 0 0 0 0 0 0 0 5.3002 2.5586 -0.7078 C 0 0 0 0 0 0 0 0 0 0.0388 2.9870 -0.3477 C 0 0 0 0 0 0 0 0 0 -1.1238 2.2844 -0.6974 C 0 0 0 0 0 0 0 0 0 -2.2367 3.0019 -0.9776 C 0 0 0 0 0 0 0 0 0 5.5002 1.2230 -1.2485 C 0 0 0 0 0 0 0 0 0 6.5307 0.6434 -1.9687 C 0 0 0 0 0 0 0 0 0 6.3864 -0.6656 -2.3703 C 0 0 0 0 0 0 0 0 0 5.2165 -1.3727 -2.1379 C 0 0 0 0 0 0 0 0 0 4.1461 -0.7872 -1.4944 C 0 0 0 0 0 0 0 0 0 4.2891 0.5114 -1.0326 C 0 0 0 0 0 0 0 0 0 3.3605 1.4157 -0.3529 C 0 0 0 0 0 0 0 0 0 1.4099 2.5631 -0.0602 C 0 0 0 0 0 0 0 0 0 7.4193 1.2452 -2.1067 H 0 0 0 0 0 0 0 0 0 7.1162 -1.0822 -2.9681 H 0 0 0 0 0 0 0 0 0 5.1523 -2.4015 -2.3454 H 0 0 0 0 0 0 0 0 0 3.3459 -1.3193 -1.2350 H 0 0 0 0 0 0 0 0 0 -1.1638 1.3045 -0.7161 H 0 0 0 0 0 0 0 0 0 -3.2005 2.6683 -1.5671 H 0 0 0 0 0 0 0 0 0 5.9657 3.7060 -0.9548 N 0 0 0 0 0 0 0 0 0 4.0915 2.5423 -0.0737 N 0 0 0 0 0 0 0 0 0 2.0245 1.3875 -0.2864 N 0 0 0 0 0 0 0 0 0 2.0973 3.7060 0.2563 N 0 0 0 0 0 0 0 0 0 4.0915 4.8697 -0.0737 N 0 0 0 0 0 0 0 0 0 5.3002 4.8534 -0.7078 C 0 0 0 0 0 0 0 0 0 0.0388 4.4250 -0.3477 C 0 0 0 0 0 0 0 0 0 -2.2367 4.4101 -0.9776 C 0 0 0 0 0 0 0 0 0 1.4099 4.8489 -0.0602 C 0 0 0 0 0 0 0 0 0 3.3605 5.9963 -0.3529 C 0 0 0 0 0 0 0 0 0 5.5002 6.1890 -1.2485 C 0 0 0 0 0 0 0 0 0 -1.1238 5.1276 -0.6974 C 0 0 0 0 0 0 0 0 0 -3.2005 4.7437 -1.5671 H 0 0 0 0 0 0 0 0 0 2.0245 6.0245 -0.2864 N 0 0 0 0 0 0 0 0 0 4.2891 6.9006 -1.0326 C 0 0 0 0 0 0 0 0 0 6.5307 6.7686 -1.9687 C 0 0 0 0 0 0 0 0 0 -1.1638 6.1075 -0.7161 H 0 0 0 0 0 0 0 0 0 4.1461 8.1992 -1.4944 C 0 0 0 0 0 0 0 0 0 6.3864 8.0776 -2.3703 C 0 0 0 0 0 0 0 0 0 7.4193 6.1668 -2.1067 H 0 0 0 0 0 0 0 0 0 5.2165 8.7847 -2.1379 C 0 0 0 0 0 0 0 0 0 3.3459 8.7313 -1.2350 H 0 0 0 0 0 0 0 0 0 7.1162 8.4942 -2.9681 H 0 0 0 0 0 0 0 0 0 5.1523 9.8135 -2.3454 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 21 26 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 38 41 1 0 0 0 0 38 42 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 0 0 0 0 41 44 1 0 0 0 0 1 25 1 0 0 0 0 M END ----------cut here----------- ------=_NextPart_000_001F_01C27E62.2418B910 Content-Type: chemical/x-mdl-molfile; name="subPc-rX.MOL" Content-Transfer-Encoding: 7bit Content-Disposition: attachment; filename="subPc-rX.MOL" CSD_CIF_PHTLBC Mol2Mol 10280209083D 44 52 0 0 0 0 0 0 0 0999 V2000 3.5217 3.7060 0.6113 B 0 0 0 0 0 0 0 0 0 3.8042 3.7060 2.4534 Cl 0 0 0 0 0 0 0 0 0 5.3002 2.5586 -0.7078 C 0 0 0 0 0 0 0 0 0 0.0388 2.9870 -0.3477 C 0 0 0 0 0 0 0 0 0 -1.1238 2.2844 -0.6974 C 0 0 0 0 0 0 0 0 0 -2.2367 3.0019 -0.9776 C 0 0 0 0 0 0 0 0 0 5.5002 1.2230 -1.2485 C 0 0 0 0 0 0 0 0 0 6.5307 0.6434 -1.9687 C 0 0 0 0 0 0 0 0 0 6.3864 -0.6656 -2.3703 C 0 0 0 0 0 0 0 0 0 5.2165 -1.3727 -2.1379 C 0 0 0 0 0 0 0 0 0 4.1461 -0.7872 -1.4944 C 0 0 0 0 0 0 0 0 0 4.2891 0.5114 -1.0326 C 0 0 0 0 0 0 0 0 0 3.3605 1.4157 -0.3529 C 0 0 0 0 0 0 0 0 0 1.4099 2.5631 -0.0602 C 0 0 0 0 0 0 0 0 0 7.4193 1.2452 -2.1067 H 0 0 0 0 0 0 0 0 0 7.1162 -1.0822 -2.9681 H 0 0 0 0 0 0 0 0 0 5.1523 -2.4015 -2.3454 H 0 0 0 0 0 0 0 0 0 3.3459 -1.3193 -1.2350 H 0 0 0 0 0 0 0 0 0 -1.1638 1.3045 -0.7161 H 0 0 0 0 0 0 0 0 0 -3.2005 2.6683 -1.5671 H 0 0 0 0 0 0 0 0 0 5.9657 3.7060 -0.9548 N 0 0 0 0 0 0 0 0 0 4.0915 2.5423 -0.0737 N 0 0 0 0 0 0 0 0 0 2.0245 1.3875 -0.2864 N 0 0 0 0 0 0 0 0 0 2.0973 3.7060 0.2563 N 0 0 0 0 0 0 0 0 0 4.0915 4.8697 -0.0737 N 0 0 0 0 0 0 0 0 0 5.3002 4.8534 -0.7078 C 0 0 0 0 0 0 0 0 0 0.0388 4.4250 -0.3477 C 0 0 0 0 0 0 0 0 0 -2.2367 4.4101 -0.9776 C 0 0 0 0 0 0 0 0 0 1.4099 4.8489 -0.0602 C 0 0 0 0 0 0 0 0 0 3.3605 5.9963 -0.3529 C 0 0 0 0 0 0 0 0 0 5.5002 6.1890 -1.2485 C 0 0 0 0 0 0 0 0 0 -1.1238 5.1276 -0.6974 C 0 0 0 0 0 0 0 0 0 -3.2005 4.7437 -1.5671 H 0 0 0 0 0 0 0 0 0 2.0245 6.0245 -0.2864 N 0 0 0 0 0 0 0 0 0 4.2891 6.9006 -1.0326 C 0 0 0 0 0 0 0 0 0 6.5307 6.7686 -1.9687 C 0 0 0 0 0 0 0 0 0 -1.1638 6.1075 -0.7161 H 0 0 0 0 0 0 0 0 0 4.1461 8.1992 -1.4944 C 0 0 0 0 0 0 0 0 0 6.3864 8.0776 -2.3703 C 0 0 0 0 0 0 0 0 0 7.4193 6.1668 -2.1067 H 0 0 0 0 0 0 0 0 0 5.2165 8.7847 -2.1379 C 0 0 0 0 0 0 0 0 0 3.3459 8.7313 -1.2350 H 0 0 0 0 0 0 0 0 0 7.1162 8.4942 -2.9681 H 0 0 0 0 0 0 0 0 0 5.1523 9.8135 -2.3454 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 21 26 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 38 41 1 0 0 0 0 38 42 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 0 0 0 0 41 44 1 0 0 0 0 1 25 1 0 0 0 0 M END ------=_NextPart_000_001F_01C27E62.2418B910-- From chemistry-request@server.ccl.net Mon Oct 28 14:05:39 2002 Received: from mta1.sucs.soton.ac.uk ([152.78.128.140]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g9SJ5dv13277 for ; Mon, 28 Oct 2002 14:05:39 -0500 Received: from soton.ac.uk (scarlet.chem.soton.ac.uk [152.78.196.193]) (authenticated bits=0) by mta1.sucs.soton.ac.uk (8.12.3/8.12.3) with ESMTP id g9SJ5MPA007590 (version=TLSv1/SSLv3 cipher=RC4-MD5 bits=128 verify=NO); Mon, 28 Oct 2002 19:05:26 GMT Sender: L.BENASSI@soton.ac.uk Message-ID: <3DBD8A72.791B153C@soton.ac.uk> Date: Mon, 28 Oct 2002 19:05:22 +0000 From: Luca Fenu Organization: university of southampton X-Mailer: Mozilla 4.79 [en] (X11; U; Linux 2.4.20-pre9 i686) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: CCL: scripting pymol References: <000801c0fdc2$739f33f0$9865fea9@HaitaoJI> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-MailScanner: Believed to be clean X-MailScanner-Spam: not spam (whitelisted), SpamAssassin (score=0, required 5) Dear all, I need to scan and make a choice about a list of molecules. does anyone knows how to send command to pymol through a perl or shell script? I've read pymol's manual, and it's possible to pass pymol some scripts, from its internal shell. but I don't know how to pass commands to it from another program. starting the process in foreground and feeding the command from the stdout of perl to the stdin of pymol doesn't work. I think pymol use another filehandle for aquiring commands. how can I avoid to restar a new pymol for every molecule? any suggestion? many thanks luca -- Universities are places of knowledge. The freshman each bring a little in with them, and the seniors take none away, so knowledge accumulates. From chemistry-request@server.ccl.net Mon Oct 28 14:26:36 2002 Received: from cornell.edu ([132.236.56.6]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g9SJQaD13850 for ; Mon, 28 Oct 2002 14:26:36 -0500 Received: from cornell.edu (lock.lassp.cornell.edu [128.84.241.198]) by cornell.edu (8.9.3/8.9.3) with ESMTP id OAA03051 for ; Mon, 28 Oct 2002 14:26:32 -0500 (EST) Sender: cc236@cornell.edu Message-ID: <3DBD8F68.34F7C1C3@cornell.edu> Date: Mon, 28 Oct 2002 14:26:32 -0500 From: Connie Chang X-Mailer: Mozilla 4.77 [en] (X11; U; Linux 2.2.19-6.2.16smp i686) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: Gaussian input file -- molecule specification Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi -- I was wondering what units the molecule specification is in when cartesian coordinates are used. is it in bohrs? or angstroms? thank you, connie chang From chemistry-request@server.ccl.net Mon Oct 28 14:53:34 2002 Received: from ks.uiuc.edu ([130.126.120.73]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g9SJrYD14600 for ; Mon, 28 Oct 2002 14:53:34 -0500 Received: from verdun.ks.uiuc.edu (verdun.ks.uiuc.edu [130.126.120.129]) by ks.uiuc.edu (8.11.2/8.11.2) with ESMTP id g9SJrYB00258; Mon, 28 Oct 2002 13:53:35 -0600 (CST) Received: from localhost (jim@localhost) by verdun.ks.uiuc.edu (8.10.2+Sun/8.9.1) with ESMTP id g9SJrDv13629; Mon, 28 Oct 2002 13:53:14 -0600 (CST) X-Authentication-Warning: verdun.ks.uiuc.edu: jim owned process doing -bs Date: Mon, 28 Oct 2002 13:53:13 -0600 (CST) From: Jim Phillips To: Chen Hao cc: chemistry@server.ccl.net Subject: Re: CCL:Temperature Control in NAMD In-Reply-To: <3DBD14B4.3030303@263.sina.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, This sounds like your system wasn't minimized at the beginning of the simulation, and you are seeing the initial conversion of potential to kinetic energy. You should generally ignore the initial equilibration period during analysis. -Jim On Mon, 28 Oct 2002, Chen Hao wrote: > Dear all: > I used temperature coupling to control temperature in NAMD. But when > I set temperature for heat bath to 298K, I found after 2000-3000 steps > the termerature could stabilize to 298K(I set inital temp. to 298K, > during the simulation temp. increased to about 318K quickly and then > decreased to 298K slowly). what's the matter? If I used it to do a > equilibrate simulation(system is temperature sensitive), would the first > few thousand steps have any influence? > > Chen Hao > > > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > > From chemistry-request@server.ccl.net Mon Oct 28 15:54:28 2002 Received: from vnuserv.vnuhcm.edu.vn ([203.162.44.33]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g9SKsQD16218 for ; Mon, 28 Oct 2002 15:54:27 -0500 Received: from Services.hcmuns.edu.vn (Services.hcmuns.edu.vn [172.29.16.4]) by vnuserv.vnuhcm.edu.vn (8.9.3/8.8.7) with SMTP id LAA15614; Tue, 29 Oct 2002 11:06:49 GMT Received: from Server.vnuhcm.edu.vn. by VNU-Gateway with ESMTP Ver (1.1Plus) for recipient addresses : Received: from chemdep.hcmuns.edu.vn (IDENT:root@chemdep.hcmuns.edu.vn [172.29.2.202]) by Services.hcmuns.edu.vn (8.11.6/8.11.2) with ESMTP id g9SKg1314846 for ; Tue, 29 Oct 2002 03:42:01 +0700 Received: from winlinux ([172.29.2.207]) by chemdep.hcmuns.edu.vn (8.9.3/8.9.3) with SMTP id DAA02295 for ; Tue, 29 Oct 2002 03:10:15 -0700 Message-ID: <008601c27ec4$5d8f5700$cf021dac@winlinux> From: "Minh Tung" To: Subject: Gaussian in Linux Date: Tue, 29 Oct 2002 03:55:36 +0700 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1090 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1090 Dear All I'm starting using Gaussian on Linux Redhat but I don't know what is the best program to model molecular on it. Is there any free software to modeling and give Gaussian input like GaussView on Windows ?. And on Linux Redhat, why it use memory resource too much ? how I control it ? Best regrad. Minh Tung tung092@chemdep.hcmuns.edu.vn Natural Science University Viet Nam