[gmx-users] Re:J-walking REMD

[David Parcej]

gmx-users-request at gromacs.org wrote:

Thanks for the info Mark.
>> 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
>