[AMBER] The -c option in Sander

From: phani ghanakota <gphanionline.yahoo.com>
Date: Fri, 9 Oct 2009 17:47:18 -0700 (PDT)

Dear all,

1) I would like to know how the -c option in sander works. If we give a file after the -c option and specify irest = 0 and NTX = 5, will the velocity information be read in?


2) If the velocity information is read in (in the above condition) then is the time not being reset to zero the only advantage of using irest =1 when restarting a MD simulation.

with regards,

Phani.



      
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Received on Fri Oct 09 2009 - 18:00:01 PDT
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