Hi,
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
parameters.
Thank you in advanced
Kind regards
Tiffani
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https://es.linkedin.com/in/tiffanirovira
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https://es.linkedin.com/in/tiffanirovira>*
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Received on Thu Jul 21 2016 - 09:00:03 PDT
