Re: CCL:efrag on gamess ?

["Dr.Tapan K.Ghanty" <tapang.,at,.apsara.barc.ernet.in>]

Hi Marcelo,
 You may forward this "efrag on gamess" question to GAMESS user group:
 owner-gamess-users.,at,.Glue.umd.edu
 http://mineral.umd.edu/gamess-users
 Hope you will get help from them.
 With all the best,
 Tapan Ghanty <tapang.,at,.apsara.barc.ernet.in>
 -----------------------------------------------------------------------
 On Fri, 10 Mar 2000, Marcelo Zaldini Hernandes wrote:
 >     Dear all,
 >
 >     I tried to do $EFRAG calculations whith gamess, using 49 H2Oef2
 > water fragments, like:
 >
 > $efrag
 > coord=cart  position=fixed
 > fragname=H2Oef2
 > O1    2.0 1.0 3.0
 > H2     3.4 2.1  3.4
 > H3       4.2 4.5 5.2
 > fragname=H2Oef2
 > O1    7.0 3.0 3.0
 > H2     1.4 5.1  3.4
 > H3       2.2 1.5 5.2
 > >.
 > >.
 > >.
 > $end
 >
 >     When I ran a  CHECK, received this message:
 >
 > ERROR! EFFECTIVE FRAGMENT  $H2OEF2 NUMBER 1 DOES NOT MATCH STANDARD ONE.
 >
 >     Anybody knows what it means ?
 >
 >     Thanks in advance.
 >
 > --
 > **************************************
 > Marcelo Zaldini Hernandes
 >
 >
 >
 >
 > -= This is automatically added to each message by mailing script =-
 > CHEMISTRY.,at,.ccl.net -- To Everybody    |
 CHEMISTRY-REQUEST.,at,.ccl.net -- To Admins
 > MAILSERV.,at,.ccl.net -- HELP CHEMISTRY or HELP SEARCH
 > CHEMISTRY-SEARCH.,at,.ccl.net -- archive search    |    Gopher:
 gopher.ccl.net 70
 > Ftp: ftp.ccl.net  |  WWW: http://www.ccl.net/chemistry/   | Jan: jkl.,at,.ccl.net
 >
 >
 >
 >
 >