[gmx-users] REMD

[Xavier Periole]

>at the end of a REMD run in gromacs I have as many trajectories as replicas used for simulation. To produce one continuous trajectory trjcat was recommended in a previous message. Since it neither makes sense to simply concatenate all trajectories nor can one sort them by time, I suspect that one needs to use the demux option in trjcat. Is that true? And if so, could someone explain how this option works, because from the manual I could not figure out how the necessary xvg should look like.
>  
>
it is not clear what you actually want to do and the trjcat -h
indicates the format for remd.xvg

XAvier

-- 
----------------------------------
 Xavier Periole - Ph.D.

 Dept. of Biophysical Chemistry / MD Group   
 Univ. of Groningen
 Nijenborgh 4
 9747 AG Groningen
 The Netherlands
 
 Tel: +31-503634329
 Fax: +31-503634398
 email: x.periole at rug.nl
 web-page: http://md.chem.rug.nl/~periole
----------------------------------