[AMBER] problem umbrella sampling and gpus

From: Elisa Frezza <elisa.frezza.gmail.com>
Date: Wed, 17 Oct 2012 15:08:38 +0200

Dear All,

I have some problem with both ntr=1 and nmropt=1.
Is it possible to run simulations with these command using gpus?

thanks

Elisa

-- 
Elisa Frezza
Ph.D. Student in Materials Science and Engineering
Dipartimento di Scienze Chimiche
Università di Padova
via Marzolo, 1
35131 Padova - Italy
Phone: +39 049 827 5149
Skype: elisa.frezza
Emai: elisa.frezza.gmail.com
         elisa.frezza.studenti.unipd.it
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Received on Wed Oct 17 2012 - 06:30:04 PDT