Hi, guys,
For the atoms which have the same atom type, is it
necessary to keep the same charge on them? Sometimes,
some of them involve H-bonding with other groups. I
think that the charge on such atoms should be
different with other atoms which gave the same atom
type. But it seems amber force field never cares it.
Can I keep all the other parameters the same, but
permit them different charge?
Thanks,
Yuhui
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Received on Tue Oct 14 2003 - 02:53:00 PDT
