andrew.bostick1 at gmail.com
Sun Oct 4 19:57:08 CEST 2015
My previous problem was solved after I used all-bonds instead of hbonds in
constraint section of mdp file. (I got the topology for my ligand using
After completion of NVT equilibration phase, I viewed nvt.gro using vmd.
Please see the related figure in the following link:
What is the reason of this problem and how to resolve that?
Any help will highly appreciated.
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