AMBER Archive (2005)

Subject: Re: AMBER: An error during minimization using RED

From: FyD (fyd_at_u-picardie.fr)
Date: Tue Mar 01 2005 - 15:44:33 CST

> I've just installed RED/XRED and Gamess and I've got problem with
> pptimization of molecules. I get:
>
> rungms [OK]
> gamess.01.x [OK]
> ddikick.x [OK]
> resp [OK]
>
> The structure is being optimized ... [FAILED]

Can you send me your initial PDB file ?

  F.-Y. Dupradeau
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
The Scripps Research Institute, La Jolla, CA, USA
       --
http://www.u-picardie.fr/labo/lbpd/FyD.htm
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