[gmx-users] non-global thermostatting
nedomacho at gmail.com
Tue Jul 31 22:21:48 CEST 2018
> No, as all atoms have to be specified within some group. But you can
> disable thermostatting on a given group by setting tau_t = -1.
> Not sure I understand... I have several groups (say, GRP1, GRP2, etc) and
the only one I want to be thermostatted is SOL. Does that mean that I
should have something like:
tc-grps = SOL GRP1 GRP2 ...
tau_t = 0.1 -1 -1 ...
What happens if instead I happen to have only the original statement?
More information about the gromacs.org_gmx-users