[gmx-users] Creating a topology file for small molecules

[Alan]

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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
> molecues
> for GROMACS?
>
> Thanks in advance.
>
> Felix Weng
>
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-- 
Alan Wilter SOUSA da SILVA, DSc
Bioinformatician, UniProt
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD
United Kingdom
Tel: +44 (0)1223 494588