[gmx-users] how to treat the peptide apart from the ligand -reg

venkatesh s svenkateshbioinformatics at gmail.com
Sun Oct 19 18:36:54 CEST 2014

i generated peptide  .gro .file and top using *prodrg *server

so here after how to update the topol.top ? (Distance restrain or potions
restrain ? )

On Sun, Oct 19, 2014 at 3:55 PM, venkatesh s <
svenkateshbioinformatics at gmail.com> wrote:

> hello
>           i want perform the protein ligand complex simulations, in that
> protein one small peptide  is there "PHOSPHOTHREONIN"  to carryout
> simulation, how to treat the peptide ?
> thank you
> --
> Regards,


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