AMBER Archive (2007)

Subject: AMBER: Bulk water simulation with centre of mass position restrain

From: Biman Jana (bjana_at_sscu.iisc.ernet.in)
Date: Wed Dec 05 2007 - 12:08:56 CST

Dear Users,
           I want to do a bulk water (SPC/E) simulation with restraining
the position of centre of mass of water with low force constant to study
the effect of translational diffusion on rotational dynamics at 300K. I
realy don,t have any idea how to do it. If anybody has any idea that will
be highly appreciated.

Biman Jana 

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