[gmx-users] merging several trr and edr files
mark.abraham at anu.edu.au
Wed Dec 20 13:24:26 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
>> 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 ?
Yep. There's a nice section in the manual that broadly describes the
function of all of the utility programs, and in there you will find trjcat
and eneconv and others.
> I used "trjcat_d" for concatenating trajectory files (.trr) and
> "eneconv_d" for merging energy files (.edr)
The "_d" suffix is only needed for double precision.
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