Re: [AMBER] please help me

From: <>
Date: Wed, 12 Oct 2011 09:39:17 -0400 (EDT)


> when i have done energy minimization of them some structure is giving NaN
> and some structure is giving energy value after running to all
> step.........

likely, some of your structures show large clashes that minimization
cannot resolve. Visually check your structures to see where something
might be wrong, like entangled rings or atoms on top of each other.


Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Wed Oct 12 2011 - 07:00:03 PDT
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