Re: AMBER: Prepgen

From: Grange Hermitage <>
Date: Fri, 1 Aug 2008 11:59:45 +0930

Same problem here, have also tried antechamber-1.27 with same result.

> I have had exactly same problems as mentioned by Ojha. I tried to assign
> charges to my modified amino-acid but after using the prepgen, to remove the
> ACE and NME residues, the charge of the center amino-acid was not zero.
> I faced the same problem when I followed the antechamber tutorial 2. (on
> page After using prepgen
> the charges did not match with the prepi file on the tutorial page. I
> noticed that the charges were not changed from the earlier ac file.

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Received on Sun Aug 03 2008 - 06:07:39 PDT
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