> you do need this option (-demux) and the xvg file should hold N+1 columns > containing the correct permutation of replicas, e.g. > > time repl 0 1 2 3 ... > 0 0 1 2 3 > 1 1 0 2 3 > 2 1 2 0 3 > > and so on
so, if i observe in md.log an exchange like: "Repl ex 0 1 2 x 3" for e.g. time step 1 that would convert into: "1 0 1 3 2" for remd.xvg. is that correct? the problem is, if i do something like this for the entire time scale trjcat only outputs the simulation box but no coordinates to the new trajectory. -- Echte DSL-Flatrate dauerhaft für 0,- Euro*! "Feel free" mit GMX DSL! http://www.gmx.net/de/go/dsl _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
