Re: AMBER: resp error message

From: FyD <>
Date: Thu, 30 Sep 2004 18:54:33 +0200

> I've tried both suggestions and got the same error message as before:
> chgopt: LU decomp gave almost-singular U
> I just set all the atoms as independent from each other (ivary=0) and
> tested two different orientations but it didn't work.

Could you send me your minimization output & starting PDB file (if you agree)?
I would like to check that carefully. Thanks, regards, Francois
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Received on Thu Sep 30 2004 - 18:53:01 PDT
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