Re: [AMBER] how to write one ptraj file into several smaller files

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 30 Apr 2010 08:08:37 -0400

Hello,

On Fri, Apr 30, 2010 at 8:00 AM, Yunfen Wang <wangfen041237.163.com> wrote:

> Hi all,
> Due to my computer's low memory, when I run ptraj command , it often
> crashes. I want to cut the "***.mdcrd"


AmberTools 1.3 and above should store only those frames you want to process
in memory, so that shouldn't really be a problem...


> file into several pieces about 100 MB, and the "****.out" file态the
> "***.rst" file also are consistent with the


The ****.rst file corresponds only to the last frame of the trajectory, so I
don't know what kind of "correspondence" you're looking for here. The
***.out file you will have to cut manually (there is no utility to do that
like you can for mdcrd files).


> "****.mdcrd" file. But how ? Anyone will help me?
> Thanks a lot.
> wang
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Good luck!
Jason 

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Fri Apr 30 2010 - 05:30:05 PDT
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