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

[md kashif]

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