[gmx-users] Parameters for organic molecules

[Daan van Aalten]

why not use the .gro file from the PRODRG server - this will make sure the
sequence is the same as in the topology.

Daan

On Fri, 9 Sep 2005, naga raju wrote:

> Dear gmx users,
>                 I am using PRODRG server to get
> gromacs parameter topology file for organic molecules.
> But in this the atom sequence is different from
> initial input file. How to get the correct atom
> sequence number.
> Is there any way to get topology files other than
> PRODRG server.
>          Any suggestion is appreciable. Thank you with
> warm regards.
>                  bye
>                          nagaraju
>
>
>
>
>
>
>
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##############################################################################
Dr. Daan van Aalten                    Wellcome Trust Senior Fellow / Reader
Wellcome Trust Biocentre, Dow Street   TEL: ++ 44 1382 344979
Div. of Biol.Chem. & Mol.Microbiology  FAX: ++ 44 1382 345764
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