[gmx-users] J-walking REMD

Thomas Piggot t.piggot at bristol.ac.uk
Wed Jan 27 11:53:01 CET 2010

You can try using the TEE-REX module, the GROMACS 3.3.x version has 
worked for me in the past on a system too large for standard REMD.


David Parcej wrote:
> Dear All
> Some time ago there was a discussion concerning the problems of REMD for 
> large systems and the possibility of using the REST implementation of 
> the method.
> Mark, you mentioned that you had coded an implementation Okur  method 
> (JCTC, 2006, 2, 420). How did it work and can you make this available?
> Any other thoughts on REMD for large systems are also appreciated.
> cheers
> David

Thomas Piggot
University of Bristol, UK.

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