[gmx-users] REMD using Gromacs 3.2.1

Monika mon_sharma at research.iiit.ac.in
Tue Dec 25 08:12:51 CET 2007

Thanks all. I think it is not there as -replex is not implemented in 
Mark Abraham wrote:
> Monika wrote:
>> Dear All,
>> I have one query regarding usage of version 3.2.1 of GROMACS for 
>> replica exchange. I could not find any mention at the 3.2 manual for 
>> replica exchange, as I could find for version 3.3 and above. For eg., 
>> by using -replex option. So how can one perform replica exchange 
>> using 3.2.1? Is replica exchange can be done using 3.2.1? If yes, 
>> then how to perform REMD? (I mean the commands)
> There was a version of GROMACS for which REMD was implemented, but not 
> documented in the manual, but I do not recall whether that was 3.2.1 
> or 3.3. In any case, the manual documentation for the current version 
> of REMD will be applicable to 3.2.1, if indeed it is implemented 
> there. Check out "man mdrun" and see if "-replex" is documented there. 
> If not, then REMD was not implemented then.
> Mark
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