[AMBER] 100ps long minimization script

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From: pradeep pant <pradeep.pant25.gmail.com>
Date: Sun, 30 Nov 2014 19:08:01 +0530

Hi all,
Is the script below is fine for running a simple 100ps long minimization.

&cntrl
  imin = 1,
  maxcyc = 500,
  dt = 0.02,
  nstlim = 5000,
  ncyc = 250,
  ntb = 0,
  igb = 0,
  cut = 12
/

Any help would be highly appreciated.

Regards,
Pradeep
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Received on Sun Nov 30 2014 - 06:00:04 PST