[gmx-users] Creating a topology file for small molecules
alanwilter at gmail.com
Thu Dec 12 12:33:45 CET 2013
On 12 December 2013 10:57, Felix Weng <100711003 at gms.tcu.edu.tw> wrote:
> Dear all,
> I've been having trouble creating a topology file for small molecules SAM
> and PA. I've tried using ATB, PRODRG, as wel as the command g_x2top, but
> with no success.
> Does anyone know any other ways to create a topology file for small
> for GROMACS?
> Thanks in advance.
> Felix Weng
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Alan Wilter SOUSA da SILVA, DSc
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Cambridge CB10 1SD
Tel: +44 (0)1223 494588
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