AMBER Archive (2004)

Subject: Re: AMBER: resp error message

From: FyD (fyd_at_u-picardie.fr)
Date: Thu Sep 30 2004 - 11:54:33 CDT

> 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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