[AMBER] About restraint

From: Jun Wang <junwangwx.gmail.com>
Date: Wed, 18 Apr 2012 10:33:09 +0800

Dear amber users,

I'm using amber11 to do MD simulation on a system which contains a very
huge molecular and a peptide inside it. In order to accelerate the
simulation. I want to constrain the big molecular without calculating its
inner interaction. That is to say, I just want to treat the big molecular
as the environment and only calculate the energy between the small peptide
and environment. I don't know how to write the input file of my simulation.

Any help would be appreciated!


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Received on Tue Apr 17 2012 - 20:00:03 PDT
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