On 18/09/2011 9:35 PM, michael zhenin wrote:
Hi All,
I have few questions regarding REMD simulation.
I assume REMD works in the following way: Each replica starts with a
given temperature and the temperature of each replica changes
along the simulation (as described in Sugita and Okamoto pub
Hi,
in the GROMACS implementation of REM the trajectories are exchanged not
the temperatures. The temperatures are kept constant. As well as the
description of the Okamoto paper cited by GROMACS
Basti
On 09/18/2011 01:35 PM, michael zhenin wrote:
> Hi All,
>
> I have few questions regarding REM
users@gromacs.org
Subject: [gmx-users] Questions regarding REMD simulation
Hi All,
I have few questions regarding REMD simulation.
I assume REMD works in the following way: Each replica starts with a given
temperature and the temperature of each replica changes along the
simulation (as desc
Hi All,
I have few questions regarding REMD simulation.
I assume REMD works in the following way: Each replica starts with a given
temperature and the temperature of each replica changes along the simulation
(as described in Sugita and Okamoto publication, 1999). Then demux.pl and
trjcat collect
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