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AMBER Archive (2005)Subject: AMBER: Any way to get different charge on same type atom
From: Jianzhong Liu (zhong_at_udel.edu)
Dear Users,
I performed RESP charge derivation of a negative Gly with structure HN(-)-CH2-COO(-) with total charge -2.
But the RESP always give me same charge on carbon, like following,
no. At.no. q(init) q(opt) ivary d(rstr)/dq
But I think the charge on Carbon atom should be different. Are there any ways to get different charge on these same type atoms.
Jianzhong Liu
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