rease the upper limit of the temperature range for REMD.
> Meanwhile, anther question, what's the proper range for the exchange
> probability? Does the high exchange probability impair the properties we
> want to observe or just a waste of computational resources?
> Best re
ion, what's the proper range for the exchange
probability? Does the high exchange probability impair the properties we want
to observe or just a waste of computational resources?
Best regards!
Xiangqian Kong
--- On Sat, 11/19/11, Mark Abraham wrote:
From: Mark Abraham
Subject:
probability? Does the high exchange probability impair the properties we want
to observe or just a waste of computational resources?
Best regards!
Xiangqian Kong
--- On Sat, 11/19/11, Mark Abraham wrote:
> From: Mark Abraham
> Subject: Re: [gmx-users] Poor exchange probability for
On 18/11/2011 12:43 PM, ÏéÇ« ¿× wrote:
Dear GMX users，
Recently i am performing the REMD simulation with Gromacs program and the temperature
distribution for each replica was predicted with the server
"http://folding.bmc.uu.se/remd/";. However, after a 2-ns short test simulation
with 64 re
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