<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="mailto:dava@davapc1.bioch.dundee.ac.uk">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><p>
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