[gmx-users] REMD
X.Periole
X.Periole at rug.nl
Tue Jul 11 19:53:02 CEST 2006
> 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 way you translate looks reasonable but I never used
the version (?) you use so I won't be able to comment
more.
> 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.
Other users should be able to help ...
XAvier
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