[gmx-users] solvent_protein interaction energy
balaji_sethu at hotmail.com
Fri Jul 1 15:04:11 CEST 2011
Thanks for the reply !
I have tried building the topology with generating the index file
make_ndx -f *
it gave options i have selected the protein and the solvent
then i gave minimization
in the minimization file i have included
energygrps = Protein SOL ,
but the energy file have the same when i removed and inserted the above flag !
if any one can explain me in detail it will be helpfull
thanks in advance !
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