[gmx-users] gromacs

Meenakshi Rajput ashi.rajput39 at gmail.com
Thu Jul 31 07:16:36 CEST 2014

hi gromacs users
I have done the whole mdrun simulation of my protein human serum albumin
complex with ligand and i got all the files. But when i opened the pdb file
obtained after md simulation in pymol to see the interaction, ligand went
to some other place. It was not in the active site. please tell me what is
the problem, where i m wrong?

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