Dear Lammps users,
Version: September 2021
I am doing Langevin simulation of a diatom at 300K, to estimate the mean first passage time in barrier crossing. Thermostat to the dimer is given by the fix Langevin command. I would like to compare the random and frictional forces. Dumping these forces from a thermostat is possible?. I have the friction coefficients (50.,70,100,…500) ps^-1 and random seed has been used for white noise .
Regards,
Vanitha
Dear Lammps users,
Version: September 2021
I am doing Langevin simulation of a diatom at 300K, to estimate the mean first passage time in barrier crossing. Thermostat to the dimer is given by the fix Langevin command. I would like to compare the random and frictional forces. Dumping these forces from a thermostat is possible?. I have the friction coefficients (50.,70,100,…500) ps^-1 and random seed has been used for white noise .
Not without modifying the source code to do that. There is no existing access method.