Hi,
I have been going through the How-to for REMD in gromacs:
http://www.gromacs.org/Documentation/How-tos/REMD
Is there a recommended value for the exchange interval and does it depend
on system size? For example, is an interval of 100 ps appropriate for a
sytem with 60,000 atoms? Is a too long interval simply a waste of time or
can it actually introduce artefacts?
Thanks,
Gianluca
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Gianluca Interlandi, PhD [email protected]
+1 (206) 685 4435
http://artemide.bioeng.washington.edu/
Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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