AMBER Archive (2002)

Subject: Re: image

From: David A. Case (case_at_scripps.edu)
Date: Thu Sep 19 2002 - 12:43:32 CDT

On Thu, Sep 19, 2002, X. Tan wrote:
>
> I want to image water molecules back into box before gibbs run, however
> ptraj produced the restart file without velocites information(all
> specified as 0.000). I wonder whether I can just copy those information
> from the original restart file? I am using amber6.
>

Yes, that should work, since the velocities are unchanged upon imaging.

Eventually, ptraj should get smart enough to do this on its own....

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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