Most of the force fields since very early ones do not contain explicit
"extra" hydrogen bonding potentials (i.e. 10-12) instead using
electrostatics and standard vdw to represent the h-bond.
--tec3
Can I then add 10-12 terms to a frcmod file? or h-bond will be over-estimated?
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Received on Tue Aug 03 2010 - 15:00:05 PDT
