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  • md with Andersen thermostat ANDERSEN_PROB=0.10 # collision probability LBLUEOUT=.TRUE. # write the BM stuff on the output INCREM=-1e-4 # rate at which...
    7 KB (990 words) - 15:06, 15 April 2022
  • MDALGO=11 # Andersen thermostat ANDERSEN_PROB=0.10 # collision probability LBLUEOUT=.TRUE. # write down output needed to # compute free-energy gradient ##...
    10 KB (1,455 words) - 08:46, 19 July 2022