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