AMBER Archive (2002)

Subject: Re: the removal of global motion

From: David A. Case (case_at_scripps.edu)
Date: Tue Nov 12 2002 - 18:18:31 CST

On Tue, Nov 12, 2002, Ioana Cozmuta wrote:
>
> If one sets NSCM=0 then the translational and rotational motion will NOT
> be removed?

This is correct.

> Is there a way for non-periodic simulations to remove only the rotational
> or only the translational motion?

Modify the source. The routine in questions is called stopcm().

..dac 

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