AMBER Archive (2008)

Subject: Re: Re: AMBER: AdoMet parameterization with antechamber

From: Wei Huang (whuang_at_cct.lsu.edu)
Date: Mon Nov 24 2008 - 10:41:12 CST

You need to set the net charge to 1.

antechamber -nc 1 -i sam.pdb -fi pdb -o sam.prepin -fo prepi -c bcc -s 2

WH

On Tue, 2008-11-25 at 00:19 +0800, Jeffrey wrote:
> SAM 1 65.189 37.134 19.013 1.00 16.71

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