[gmx-users] edr after several continuation.

[xieyh at hkusua.hku.hk]

Dear GMX users:

A simple question. Due to crush of one simulation, I restarted one job for
several times. e.g. job1(0-500ps), job2(501-1000ps), job3(1001-1500ps). Then,
after all of these, I need to concatenate the corresponding job1.trr job2.trr
job3.trr files. 
However, how about the edr files? Is it necessary for me to concatenate all the
edr files for each job? For example, using 
eneconv -f job1.edr job2.edr job3.edr -o combined.edr

So, when I use command "g_energy" to get the whole temperature changes in the
1500ps, is it only correct to use that "combined.edr", instead of job3.edr?

Finally, How should I deal with job1.tpr job2.tpr job3.tpr?

Thanks a lot!


Xie YH
Hong Kong Univ.