[gmx-users] ligand topology

[Diego Enry]

On 8/28/07, Blaise Mathias-Costa <bmathiascosta at unmc.edu> wrote:
>
>
> hello all,
>
> How to get the topology for a ligand, for which there is no information
> available with the gromacs default libraries!!

Please search the archive at http://www.gromacs.org/search before posting.

A good start would be:
http://wiki.gromacs.org/index.php/PRODRG
http://davapc1.bioch.dundee.ac.uk/programs/prodrg/
http://www2.umdnj.edu/~kerrigje/pdf_files/trp_drug_tutor.pdf


>
>
>
> Thanks in advance
>
> Blaise
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-- 
Diego Enry B. Gomes
Laboratório de Modelagem e Dinamica Molecular
Universidade Federal do Rio de Janeiro - Brasil.