AMBER Archive (2009)

Subject: [AMBER] The -c option in Sander

From: phani ghanakota (gphanionline_at_yahoo.com)
Date: Fri Oct 09 2009 - 19:47:18 CDT

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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