drrahulsuresh at gmail.com
Mon May 15 15:12:23 CEST 2017
I am tryjng to simulate protein ligand complex using charmm36ff for 100ns.
I found the ligand moving away from the protein around 55ns. I don't think
it s a pbc effect. Is there anything I have done wrong or Should I add any
Await your valuable advice.
PS: Will the ligand move out of protein if the protein is over curved after
More information about the gromacs.org_gmx-users