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Cezary Czaplewski [Tue, 22 Aug 2017 07:55:07 +0000 (09:55 +0200)]
processing of wham pdb only for task.type=='remd'
Cezary Czaplewski [Tue, 22 Aug 2017 07:46:44 +0000 (09:46 +0200)]
changes of os.chdir(instance.jobdirname) os.chdir('..')
error should not propagate to the next job
Cezary Czaplewski [Mon, 21 Aug 2017 22:59:45 +0000 (00:59 +0200)]
free energy and ave rmsd for models in remd
Cezary Czaplewski [Mon, 21 Aug 2017 22:19:12 +0000 (00:19 +0200)]
display tau and scal_fric only for correct thermostat
Cezary Czaplewski [Mon, 21 Aug 2017 21:33:48 +0000 (23:33 +0200)]
initial git commit
projects / django_unres.git / log