[gmx-users] Replica exchange temp. distribution

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Wed Nov 19 09:09:03 CET 2008

Hi everyone,
                  I will like to do Replica exchange simulation on a peptide. We have a single 
machine with 4 cpus and the gromacs3.3.2 is installed. 
Thus I will be able to select only 4 temperature values. I came across the  "T-REMD" caculator 
for temperature distributions . However over a high range of temperature there are more than 
4, values given in the optimal tempearture distribution as obtained as an output from the "T-
REMD" calculator.  
How to choose the best possible 4 temperature values.

Thanks in advance,
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