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.suba...@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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