On Aug 10, 2011, at 8:53 AM, Sindrila Dutta banik <sindrila.duttabanik.yahoo.com> wrote:
> But how shall I get the partial charge over the atoms?
You can use the "desc" command in tleap, or run ambpdb with the -pqr option.
...dac
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Received on Wed Aug 10 2011 - 06:30:05 PDT
