Is there among Amber developers the idea to implement serial (step-by-step)
REMD using pmemd.cuda?
---------- Forwarded message ----------
From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: 2011/8/23
Subject: Re: [AMBER] Is it possible to do REMD for a 12000 atom molecule?
To: AMBER Mailing List <amber.ambermd.org>
your question isn't clear. REMD should not be much slower than
standard MD for the same system in sander. Did you compare these?
>
--
Sincerely,
Dmitry Mukha
Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 23 2011 - 12:30:04 PDT
