subject:"\[gmx\-users\] CUT\-OFFs for GROMOS96 43a1...Reg"

Re: [gmx-users] CUT-OFFs for GROMOS96 43a1...Reg

2011-03-31 Thread Justin A. Lemkul

Kishore wrote: Dear All, I am running MD simulations of an Alcohol Dehydrogenase ( a tetramer) with the bound NADPH in explicit solvent. I am employing GROMOS96 43a1 force field for the simulations. I need a clarification on the CUT-OFFs applicable for this force field. I have seen many peop

[gmx-users] CUT-OFFs for GROMOS96 43a1...Reg

2011-03-31 Thread Kishore

Dear All, I am running MD simulations of an Alcohol Dehydrogenase ( a tetramer) with the bound NADPH in explicit solvent. I am employing GROMOS96 43a1 force field for the simulations. I need a clarification on the CUT-OFFs applicable for this force field. I have seen many people using *rvdw = 1.4*