[gmx-users] gromacs

HANNIBAL LECTER hanniballecter13 at gmail.com
Thu Jul 31 08:28:19 CEST 2014

Do you know why are you even performing MD Simulation? Do you even know
what it means? Do you know what to expect?

On Thu, Jul 31, 2014 at 1:16 AM, Meenakshi Rajput <ashi.rajput39 at gmail.com>

> 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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