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