AMBER Archive (2003)

Subject: AMBER: Amber charge problem

From: Yuhui Cheng (amberuser1_at_yahoo.com)
Date: Mon Oct 13 2003 - 19:25:58 CDT

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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