[gmx-users] energy minimization of protein taken from PDB

md kashif kashifzamir180.mk at gmail.com
Tue Nov 11 09:04:48 CET 2014

Dear Dr. Justin Lemkul
Thanks for your kind suggestion,  I have energy minimized my protein taken
from PDB. It gives result as  -1.5248922e+06. Taking the energy minimized
protein generated in .gro file file and docking it with ligand and doining
energy minimization again, it gives result  as  -1.0504211e+06.
Is this value correct? Is my ligand showing interaction and bound to my
protein.  Please help.

Thanking You

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