Dear Users,
There is a file called all_prot_nucleic10.lib which is provided in
/amber12/dat/leap/lib folder. The file actually has partial charge values
for protonated nucleic acid bases. My doubt is whether this library could
be used with recent ff12SB force field for a structure which has both
standard and protonated nucleic acid bases. And if we can use it, why do we
need to do a separate Gaussian geometry optimization followed by MEP
calculation for protonated bases.
Thanks,
Asmi
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Received on Thu Jun 28 2012 - 00:00:02 PDT
