infinite update time (HILLS_BIN) for the time-dependent bias potential, hence the parameter [[]] should be as small as possible while HILLS_BIN should be as large...
8 KB (1,173 words) - 09:45, 14 November 2019
metaDynamics with Andersen thermostat ANDERSEN_PROB=0.10 # collision probability HILLS_BIN=50 # update the time-dependent bias # potential every 50 steps HILLS_H=0...
9 KB (1,330 words) - 09:45, 14 November 2019
metaDynamics with Andersen thermostat ANDERSEN_PROB=0.10 # collision probability HILLS_BIN=50 # update the time-dependent bias # potential every 50 steps HILLS_H=0...
10 KB (1,499 words) - 15:33, 15 April 2022
