[gmx-users] J-walking REMD

[Mark Abraham]

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.

Mark