[gmx-users] J-walking REMD
Mark.Abraham at anu.edu.au
Mon Feb 1 06:01:33 CET 2010
On 27/01/10 19:00, 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.
I still have my implementation, but didn't use it in anger. Reworking it
for GROMACS 4 and using it is on my short-term to-do list.
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