From unipune.ernet.in!gadre@iucaa.ernet.in Sat Aug 3 20:15:15 1996 Received: from sangam.ncst.ernet.in for unipune.ernet.in!gadre@iucaa.ernet.in by www.ccl.net (8.7.5/950822.1) id UAA17580; Sat, 3 Aug 1996 20:11:18 -0400 (EDT) Received: from iucaa.UUCP (uucp@localhost) by sangam.ncst.ernet.in (8.6.12/8.6.6) with UUCP id SAA03748 for CHEMISTRY@www.ccl.net; Sat, 3 Aug 1996 18:54:42 +0530 Received: from unipune.ernet.in by iucaa (4.1/SMI-4.1) id AA28365; Sat, 3 Aug 96 18:25:18+050 Received: by unipune.ernet.in (5.0/SMI-SVR4.1.0) id AA24177; Sat, 3 Aug 1996 18:09:01 +0500 Date: Sat, 3 Aug 1996 18:09:01 +0500 From: gadre@unipune.ernet.in (Faculty) Message-Id: <9608032309.AA24177@unipune.ernet.in> To: CHEMISTRY@www.ccl.net Subject: vdW radii Cc: gadre@unipune.ernet.in ********************************************************************* A correction to the message sent earlier (yesterday) ********************************************************************* Dear Sirs : Have you seen recent (1993 onwards) works on how to define van der Waals' radii or surfaces for atoms and molecules respectively based on molecular electron densities or other properties? The vdW radii were defined by Pauling based on contact distances in crystals earlier. I see a recent paper based on nonbonded distances authored by Rowland and Taylor (JPC 100, 7384-7391(1996)). I'll be grateful if you can send me these recent references based on other molecular/atomic properties. Thanks a lot!.....................................Shridhar Gadre gadre@unipune.ernet.in OR gadre@parcom.ernet.in August 3, 1996. From ccchai@romance.kaist.ac.kr Sat Aug 3 23:15:22 1996 Received: from romance.kaist.ac.kr for ccchai@romance.kaist.ac.kr by www.ccl.net (8.7.5/950822.1) id WAA17839; Sat, 3 Aug 1996 22:34:41 -0400 (EDT) Received: (from ccchai@localhost) by romance.kaist.ac.kr (8.6.12h2/8.6.9) id LAA14499 for chemistry@www.ccl.net; Sun, 4 Aug 1996 11:22:41 +0900 From: Chai Chong Chul Message-Id: <199608040222.LAA14499@romance.kaist.ac.kr> Subject: [Please, Help me] Problem with Solid IMPACT!! To: chemistry@www.ccl.net (CCL) Date: Sun, 4 Aug 1996 11:22:41 +0900 (KST) X-Mailer: ELM [version 2.4 PL21-h4] MIME-Version: 1.0 Content-Type: text/plain; charset=iso-2022-kr Content-Transfer-Encoding: 7bit ccchai wrote: > > Hi CCLer's > > We recently purchased two sets of SOLID IMPACT Indigo2 r4.4k 250 Mhz > machines ( IRIX 5.3) > > We are going to upgrade r4.4k to r10k. > (of course, the OS will be upgraded to IRIX 6.X) > > Our main problem is graphic processing speed of these machines. > > We use Quanta4.1/CHARMM software. > > But the graphic display speed is "TERRIBLY SLOW" . :-( > > In our thought, the problem results from one of following reasons. > > 1) There might be bottle-neck in SOLID IMPACT with R4.4K chips. > > -> If this is the problem, will it be solved by upgrading to r10k ? > > 2) New Open GL library is not completely compatible to graphic programs > > (for example, Quanta4.1..) based on old GL graphic library. > > This program is tested for EXTREME indigo2 r4.4 150 Mhz,(irix 5.2, > and iris5.3) and GR2-XS24 indigo2 r4k 100 MHZ (irix 5.3) > > but, it worked with no serious problems. > > > > Is there any other reasons you can think of ?? > > Now we're very afraid of low quality of solid impact graphic card. > > Do you think we had a very wrong choice for these specs?? X-( > > Pleeeeeeeeeeeeeeaaaaaaaaaaaaaasssseeee help me!!!!!!!!!!!!!!! > > I wish to get optimistic reply soon.!!_ > > Thanks a lot.. > ___________________________________________________________________________ > ___ ___ > | | // A I S T Chong Chul Chai(e-mail:ccchai@muse.kaist.ac.kr) > | |-// 1 9 9 6 Department of Chemistry and Center for Molecular Science. > | |-\\ Korea Adv. Inst. of Sci. & Tech., Tel: 042-869-2853. > | | \\ 373-1, Kusungdong, Yusungku, Taejon, 305-701 Korea. > --- --- alcohol in ara,csqueen,kids bbs > http://muse.kaist.ac.kr/~ccchai > ============================================================================ > > From owner-chemistry@ccl.net Sat Aug 3 23:15:30 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id WAA17830; Sat, 3 Aug 1996 22:32:09 -0400 (EDT) Received: from romance.kaist.ac.kr for ccchai@romance.kaist.ac.kr by bedrock.ccl.net (8.7.5/950822.1) id WAA12446; Sat, 3 Aug 1996 22:32:05 -0400 (EDT) Received: (from ccchai@localhost) by romance.kaist.ac.kr (8.6.12h2/8.6.9) id LAA14478 for chemistry@ccl.net; Sun, 4 Aug 1996 11:20:10 +0900 From: Chai Chong Chul Message-Id: <199608040220.LAA14478@romance.kaist.ac.kr> Subject: Re: [Please, Help me] Problem with Solid IMPACT!! To: chemistry@ccl.net Date: Sun, 4 Aug 1996 11:20:09 +0900 (KST) X-Mailer: ELM [version 2.4 PL21-h4] MIME-Version: 1.0 Content-Type: text/plain; charset=iso-2022-kr Content-Transfer-Encoding: 7bit ccchai wrote: > > Hi CCLer's > > We recently purchased two sets of SOLID IMPACT Indigo2 r4.4k 250 Mhz > machines ( IRIX 5.3) > > We are going to upgrade r4.4k to r10k. > (of course, the OS will be upgraded to IRIX 6.X) > > Our main problem is graphic processing speed of these machines. > > We use Quanta4.1/CHARMM software. > > But the graphic display speed is "TERRIBLY SLOW" . :-( > > In our thought, the problem results from one of following reasons. > > 1) There might be bottle-neck in SOLID IMPACT with R4.4K chips. > > -> If this is the problem, will it be solved by upgrading to r10k ? > > 2) New Open GL library is not completely compatible to graphic programs > > (for example, Quanta4.1..) based on old GL graphic library. > > This program is tested for EXTREME indigo2 r4.4 150 Mhz,(irix 5.2, > and iris5.3) and GR2-XS24 indigo2 r4k 100 MHZ (irix 5.3) > > but, it worked with no serious problems. > > > > Is there any other reasons you can think of ?? > > Now we're very afraid of low quality of solid impact graphic card. > > Do you think we had a very wrong choice for these specs?? X-( > > Pleeeeeeeeeeeeeeaaaaaaaaaaaaaasssseeee help me!!!!!!!!!!!!!!! > > I wish to get optimistic reply soon.!!_ > > Thanks a lot.. > ___________________________________________________________________________ > ___ ___ > | | // A I S T Chong Chul Chai(e-mail:ccchai@muse.kaist.ac.kr) > | |-// 1 9 9 5 Department of Chemistry and Center for Molecular Science. > | |-\\ Korea Adv. Inst. of Sci. & Tech., Tel: 042-869-2853. > | | \\ 373-1, Kusungdong, Yusungku, Taejon, 305-701 Korea. > --- --- alcohol in ara,csqueen,kids bbs > http://muse.kaist.ac.kr/~ccchai > ============================================================================ > > -- ____________________________________________________________________________ ___ ___ | | // A I S T Chong Chul Chai(e-mail:ccchai@muse.kaist.ac.kr) | |-// 1 9 9 5 Department of Chemistry and Center for Molecular Science. | |-\\ Korea Adv. Inst. of Sci. & Tech., Tel: 042-869-2853. | | \\ 373-1, Kusungdong, Yusungku, Taejon, 305-701 Korea. --- --- alcohol in ara,csqueen,kids bbs http://muse.kaist.ac.kr/~ccchai ============================================================================