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: [EMAIL PROTECTED]
web-page: http://md.chem.rug.nl/~periole
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