[AMBER] Minimization of a small molecule in gas phase

From: Tiffani Rovira <tiffanirovira.gmail.com>
Date: Thu, 21 Jul 2016 17:31:38 +0200


I am a new user of AMBER.

I would like to know if pmemd.cuda allows to perform a minimization of a
small molecule in gas phase. Also I need help with the keywords that I have
to use in the input file.

I already have the topology and rst file of the molecule but without box

Thank you in advanced

Kind regards


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Received on Thu Jul 21 2016 - 09:00:03 PDT
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