[gmx-users] REMD simulation

Kenny Bravo Rodriguez kenny at mpi-muelheim.mpg.de
Mon Nov 19 17:54:07 CET 2012

Dear All,

i am trying to performed REMD simulations using Gromacs.
My question is concerning the temperature distribution and the number of 
I need to run 24 replicas of my system with a temperature range of 
290-400 K. How can I select the temperatures values for each replica?
I tried the server http://folding.bmc.uu.se/remd/index.php but for my 
system it gives 50 replicas. If i try to take 24 evenly spaced values 
from the obtained list of temperature then
the replicas do not exchange at all.
I am using Gromacs 4.5.5 and my system has 6862 water molecules and 535 
atoms for the solute.

Thanks in advanced

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