From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Apr 29 2013 - 01:55:37 CDT
to control this behavior, you are expect to use "langevindamping". This
parameter defaults to 1 I guess and it's unit is 1/picoseconds and should
therefore already include the timestep.
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag
von Ajasja Ljubetic
Gesendet: Freitag, 26. April 2013 22:22
Betreff: namd-l: Are random forces applied at every step (when using the
langevin thermostat) ?
Are random forces applied at each step or at a fixed time interval (for
example every 1 ps) when using the langevin thermostat?
The reason for this question is as follows:
If I run a simulation with 0.1, 1 or 10 fs time-step, then the random forces
would be applied 10000 1000 or 100 times during one ps of simulation. This
might mean that the dynamics of the system (strongly?) depends on the
time-step, which intuitively should not be the case.
Thank you & best regards,
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