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<DIV><BR>In God We Trust<BR></DIV>
<DIV>Hello </DIV>
<DIV>Here is your topology.<BR> <BR>Thank you very much in
advance<BR>Karim Mahnam<BR>Institute of Biochemistry and
Biophysics (IBB)<BR>Tehran University <BR>P.O.box 13145-1384<BR>Tehran
<BR>Iran <BR>http://www.ibb.ut.ac.ir/<BR><BR><BR></DIV>
<BLOCKQUOTE style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px;
BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">-----Original
Message-----<BR>From: hadi behzadi <behzadihadi@yahoo.com><BR>To:
gmx-users@gromacs.org<BR>Date: Mon, 22 May 2006 12:22:29 -0700 (PDT)<BR>
Subject: [gmx-users] request<BR><BR>
<DIV> hello </DIV>
<DIV>I have a topology file for propanol as is in below , how we can
obtain topology file for 100 molecule of propanol</DIV>
<DIV>thanks</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>; <BR>
; <BR>
; This file was generated by PRODRG
version 051202.0518<BR>; PRODRG
written/copyrighted by Daan van Aalten<BR>
; <BR>
; Questions/comments to <A
href="/WorldClient.dll?Session=BJOVUBT&View=Compose&To=dava@davapc1.bioch.dundee.ac.uk&New=Yes">
dava@davapc1.bioch.dundee.ac.uk</A><BR>;
<BR>; When using this software in a
publication, cite:<BR>; A. W.
Schuettelkopf and D. M. F. van Aalten (2004).<BR>
; PRODRG - a tool for high-throughput
crystallography<BR>; of protein-ligand
complexes.<BR>; Acta Crystallogr. D60,
1355--1363.<BR>; <BR>
; </DIV>
<DIV>[ moleculetype ]<BR>; Name nrexcl<BR>DRG
3</DIV>
<DIV>[ atoms ]<BR>; nr type
resnr resid atom cgnr charge
mass<BR> 1
CH3 1 DRG
CAD 1 0.014
15.0350 <BR>
2 CH2 1
DRG CAA 1
0.037 14.0270 <BR>
3 CH2 1
DRG CAB 1
0.037 14.0270 <BR>
4 OA
1 DRG OAC
1 -0.116 15.9994 <BR>
5 HO
1 DRG HAA
1 0.028 1.0080 </DIV>
<DIV>[ bonds ]<BR>; ai aj fu c0, c1, ...<BR>
1 2 1
0.153 334720.0 0.153
334720.0 ; CAD CAA <BR>
2 3 1 0.153
334720.0 0.153 334720.0 ;
CAA CAB <BR> 3 4
1 0.143 334720.0
0.143 334720.0 ; CAB OAC <BR>
4 5 1
0.100 313800.0 0.100
313800.0 ; OAC HAA </DIV>
<DIV>[ pairs ]<BR>; ai aj fu c0, c1, ...<BR>
1 4
1
; CAD OAC <BR> 2
5
1
; CAA HAA </DIV>
<DIV>[ angles ]<BR>; ai aj ak fu c0, c1,
...<BR> 1 2 3
1 111.0
460.2 111.0 460.2
; CAD CAA CAB <BR>
2 3 4 1
109.5 460.2
109.5 460.2 ; CAA
CAB OAC <BR> 3 4
5 1 109.5
397.5 109.5 397.5
; CAB OAC HAA </DIV>
<DIV>[ dihedrals ]<BR>; ai aj ak al
fu c0, c1, m, ...<BR> 4
3 2 1 1
0.0 5.9 3
0.0 5.9 3 ; dih OAC CAB CAA
CAD <BR> 2 3 4
5 1 0.0 1.3
3 0.0 1.3 3 ;
dih CAA CAB OAC HAA </DIV>
<DIV> </DIV>
<DIV>
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