[gmx-users] concatenate NAMD trajectories
kanaan at zedat.fu-berlin.de
Thu Aug 14 15:04:31 CEST 2014
I'm sure this is a simple question, but I'm having problems trying to
concatenate trajectories obtained with NAMD.
I used this command line:
trjcat -f one.dcd two.dcd three.dcd -settime -o total.dcd
and it asked me about the starting time of each chunk (wich is 0ps,
40000ps and 80000ps, to obtain a total of 100ns trajectory). It seems all
correct but, when I try to compute, for instance, the rmsd, it can't
because there is no time in the new "total.dcd".
Any input would be really appreciated.
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