2017-08-26 | Cezary Czaplewski | remd plot all ex with multiplexing |
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2017-08-26 | Cezary Czaplewski | printout as on etoh |
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2017-08-22 | Cezary Czaplewski | processing of wham pdb only for task.type=='remd' |
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2017-08-22 | Cezary Czaplewski | changes of os.chdir(instance.jobdirname) os.chdir(... |
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2017-08-21 | Cezary Czaplewski | free energy and ave rmsd for models in remd |
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2017-08-21 | Cezary Czaplewski | display tau and scal_fric only for correct thermostat |
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2017-08-21 | Cezary Czaplewski | initial git commit |
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