[gmx-users] Exchange interval in REMD

Gianluca Interlandi gianluca at u.washington.edu
Thu Jan 26 01:38:53 CET 2012


I have been going through the How-to for REMD in gromacs:


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?



Gianluca Interlandi, PhD gianluca at u.washington.edu
                     +1 (206) 685 4435

Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.

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