[gmx-users] Implicit solvent - Gromacs 4.5.4
s.neumann08 at gmail.com
Tue Feb 28 11:59:05 CET 2012
Dear Gmx Users,
I am using Gromacs 4.5.4 and I would like to implement implicit solvent for
folding of my protein. I read mailing list and it is still confusing for
Is it proper to use counterions within the system? If not, how can I obtain
Do we use cut off for vdw and coulombic interactions?
What kind of integrator should be used with a timestep?
I will appreciate an mdp file for protein folding! Thank you
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