[gmx-users] Control Atoms for Hydroxide ?
mcharend at sbcglobal.net
Tue Aug 18 02:19:43 CEST 2009
Sorry for bringing up the hydroxide ion question again, but are there any hints as to how to place a single hydrogen on the oxygen atom? Can I somehow assign control atoms outside the hydroxide anion as a means of reference for the required ffG43a1.hdb modification? Looks like both methods to attach single protons need some kind of reference (control atoms). Thanks much,
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