AMBER Archive (2002)

Subject: Re: restart

From: David A. Case (case_at_scripps.edu)
Date: Mon Nov 04 2002 - 15:59:15 CST

On Mon, Nov 04, 2002, Ioana Cozmuta wrote:
>
> Is there a way in amber to tell the sander-minimzation procedure to write
> a restart file not only at the end of the minimization procedure but at
> every N steps?

The "ntwr" variable is only active for MD, not minimization. But you could
easily modify the code: just look for how ntwr is used in runmd.f, and
copy those ideas into runmin.f.

..good luck...dac 

-- 

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