Hi,
I'd like to know what charges Pymol uses when
generates a pqr file from a pdb.
The follow-up would be is whether there was
a way to change this, say if one wanted to
use charmm charges rather than amber.
It seems that APBS hates chain IDs. Is that
really so, or just my imagination?
Thanks for your help.
Fred
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Fred Dyda, Ph.D. Phone:301-402-4496
Laboratory of Molecular Biology Fax: 301-496-0201
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