Dear all,
Thanks for the previous help on REMD in AMBER8.
Now I am trying to run REMD on of my systems. But in one REMD run with 12
replicas, I didn's see any exchange between any replicas pair when I set
numexchg as 200. I did set rem as 1, when I submitted REMD job.
I don't know if this is normal for REMD or not. I also want know how to
control how frequent the real exchanges happen during the REMD run. It seems
to me that REMD randomly chooses if there is exchange or not, and how many
pairs of replicas exchange temperatures. But it is not clear how to control
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Dec 18 2005 - 22:53:00 PST
