Re: [AMBER] Restrained minimization

From: Jason Swails <jason.swails.gmail.com>
Date: Sat, 21 Jul 2012 17:52:01 -0400

Look at the ntr variable and restraintmask in the &cntrl section of the namelist.

They are described in the manual.

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On Jul 21, 2012, at 1:31 PM, pancham lal gupta <panchi2panchi.gmail.com> wrote:
> Hi....
> 
> How to fix or restrain particular amino acid during energy energy
> minimization in AMBER.
> please help me ....
> 
> 
> Pancham lal gupta
> IIT Delhi, India
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Received on Sat Jul 21 2012 - 15:00:02 PDT