[gmx-users] re: Gromos96 43A1
f-neuhaus at northwestern.edu
Mon Mar 28 21:22:25 CEST 2011
I am in the process of deciding on a force field library for a MD
simulation. In reading Lemkul et al I get the impression that
GROMOS96 43A1 is probably the one to use. I am trying to do a simulation
with a ligase that binds ADP, 2Mg, D-alanine and D-lactate. From these
authors, I have the impression that PRODRG is probably not the way to go.
Are there other possibilities? or should I stick to 43A1? Comment
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