Dear Amber members,
I want to calculate PMF profiles for ligands(Cl- or Na+ or H2O) via tunnel . I hesitate about the property of using ff12SB force field,just like applying water box's force field(TIP3PBOX) to ligand water.
I will very appreciate if anyone can offer some suggestions.
Look forward to your reply!
Best wishes.
wjli
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Received on Mon Apr 11 2016 - 07:00:04 PDT
