[gmx-users] Temperature interval in REMD simulations

[ISHRAT JAHAN]

Dear all

I am trying to perform REMD simulation of small peptide. I am doing REMD
first time. I am not sure how to decide the temperature interval in a given
range. I have used temperature generator for REMD-simulations for 290 K to
 500 K with exchange probability of 0.25. It gives 18 replicas. However I
am repeating the work done by Zachary et al. I am giving the link here.
http://www.ncbi.nlm.nih.gov/pubmed/25691742


There are 62 replicas generated with temperature range of 290 to 500 K.

Can anyone tell me how to generate 62 replica with temperature range of 290
to 500 K and also tell how to decide the temperature interval for doing
REMD.
How temperature is related to the number of replicas.



Thanks in Advance