[AMBER] Energy minimization script

From: <raissa.conceicao.bol.com.br>
Date: Fri, 22 Jan 2021 11:45:00 -0200

   Good afternoon,
   I would like to know if I do not mention the flags "ntmin" or "ncyc", and
   only mention
   imin, maxcyc, ntpr, cut, irest, ntx, ntb and ntr, will the program use
   steepest descent?
   Is it a good choice to change my script to use both steepest descent and
   conjugate gradient?
   Thank you!

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Received on Fri Jan 22 2021 - 06:00:07 PST
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