[gmx-users] CALCULATING ENERGY OF PROTEIN ONLY
jaswalradhika at yahoo.co.in
Fri Dec 12 07:13:37 CET 2008
I want to calculate the energies of the protein or drug only not with
the water molecules. But edr files contain all the water md run data
and if I want to open n edit data, file doesn't gets open 'coz of the
character coding problem. If anybody has any solution to this problem
plz suggest as I want to compare the energies of the different
conformations of a single protein only.
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