Dear All,
I am trying to do simulation with polarizing force field (ff02.pol.r1) in
non-polarizing solvent (TIP3P). As manual suggests, this is possible.
However, I am not able to setup my input files to do? I am facing following
issues-
1- Which leaprc file to be used, sourcing two files will result in overwrite
2- Which flag should be used in input file to specify that only solute
atoms are polarizable?
Thanks
Hemant
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Received on Tue Dec 24 2013 - 12:30:03 PST
