Hello,
I was wondering whether, when using the amoebapro.prm parameter file, does
sander read the specifications in the header of the .prm file which describe
the potential energy functional forms (e.g.,forcefield, vdwtype, etc.),
scaling (e.g., vdw-14-scale), etc. Is it true that the default amoeba
specifications would be used by sander despite the header of the
amoebapro.prm file, and only the parameter info in the .prmtop is read?
Thanks,
Rob
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Received on Mon May 09 2011 - 11:00:04 PDT
