[gmx-users] Re: Minimization before NMA

Vitaly Chaban vvchaban at gmail.com
Mon Aug 2 22:23:37 CEST 2010


Hmm... Why do you think Fmax=1.754e+00 is  not enough for NMA?

Dr. Vitaly Chaban

> I am unable to minimize a complex protein (Trimer-Trimer complex) to even less than Fmax=1.754e+00.
> I tried few tricks like performing MD for few steps etc, but it does not yield any results.
> I am sure there must be a way out. Can you please advice.
> Thanks for your attention.
> nahren

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