[AMBER] Umbrella sampling using GPU acceleration

From: Massimiliano Porrini <M.Porrini.ed.ac.uk>
Date: Wed, 2 May 2012 14:22:41 +0100

Hi all,

I am wondering if there is any way to perform umbrella sampling calculations
using the GPU computing in Amber11, as the option "nmropt=1" is
not allowed yet.

Thank you in advance.

Regards,

-- 
Dr Massimiliano Porrini
Institute for Condensed Matter and Complex Systems
School of Physics & Astronomy
The University of Edinburgh
James Clerk Maxwell Building
The King's Buildings
Mayfield Road
Edinburgh EH9 3JZ
Tel +44-(0)131-650-5229
E-mails : M.Porrini.ed.ac.uk
             mozz76.gmail.com
             maxp.iesl.forth.gr
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Received on Wed May 02 2012 - 06:30:02 PDT