2017-08-26 | Cezary Czaplewski | new force field option | tree | commitdiff |
2017-08-26 | Cezary Czaplewski | remd - amber all atom min refinement | tree | commitdiff |
2017-08-26 | Cezary Czaplewski | md: radius of gyration plot | tree | commitdiff |
2017-08-26 | Cezary Czaplewski | printout as on etoh | tree | commitdiff |
2017-08-21 | Cezary Czaplewski | free energy and ave rmsd for models in remd | tree | commitdiff |
2017-08-21 | Cezary Czaplewski | display tau and scal_fric only for correct thermostat | tree | commitdiff |
2017-08-21 | Cezary Czaplewski | initial git commit | tree | commitdiff |