[gmx-users] topology file in .dat format

[Tsjerk Wassenaar]

Hi Subarna,

There is no .dat format for topologies. It may be named .dat, but the
inside (format) is what matters. If you're confident it is gromos96
format, you can #include it the same way as other molecule definition
topology files. Do mind that there's quite a difference between
GROMOS96 43a1, 43a2, 45a3, 53a5 and 53a6...

Cheers,

Tsjerk

On Tue, Nov 10, 2009 at 8:30 AM, subarna thakur
<thakur.subarna at yahoo.co.in> wrote:
> Hello
> I have a gromos96 topology file for a ligand and it is in xx.dat format.How
> do I include this file in my gromacs version 4.0 simulation of a protein?
>
> Subarna
>
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-- 
Tsjerk A. Wassenaar, Ph.D.

Computational Chemist
Medicinal Chemist
Neuropharmacologist