[gmx-users] merging several trr and edr files
caterina.arcangeli at casaccia.enea.it
Wed Dec 20 09:40:45 CET 2006
Joern Lenz wrote:
> dear gromacs users,
> i have the following problem:
> I want to simulate a protein fragmet (about 500 aa) together with a dsDNA
> fragment (20 bp) in a cubic box solvated with water molecules.
> I tried to run this simulation for several times for about 2000 ps but our cpu
> cluster always makes problems.
> So I thought of splitting the simulation in steps of smaller length.
> Is there a possibility to merge e.g. ten simulations of 200 ps into one
> simulation of 2000 ps without loosing any information of the trr or edr
> or ... or ... files ?
> Thank you very much in advance
> and have a happy christmas ..
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I used "trjcat_d" for concatenating trajectory files (.trr) and
"eneconv_d" for merging energy files (.edr)
I hope it helped.
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