[gmx-developers] REMD with current development sources.
hessb at mpip-mainz.mpg.de
Wed May 17 12:05:36 CEST 2006
Axel Kohlmeyer wrote:
> hi again,
> i've been trying to start a RE-MD run with the curren cvs code, but
> mdrun does not seem to recognize the XXX[0-n].tpr files. is there
> some change in the way it has to be used, that has not yet found
> its way into the documentation/embedded help.
> any hints are greatly appreciated.
Is has changed and it has found its way into the embedded help.
You need to read more carefully :)
The -multi option now needs to be set to the number of replicas,
as with the CVS code you can run each replica in parallel.
My REMD test system crashed with the current CVS,
but I currently don't have time to check why.
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