Gmx-users, 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 Thx. Frank Neuhaus
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