[gmx-users] non-global thermostatting

Alex nedomacho at gmail.com
Tue Jul 31 21:44:56 CEST 2018

Hi all,

Quick question: usually I use global thermostats in GMX, but would like to
try a scheme, in which only water is being explicitly thermostatted, while
everything else is thermalized via its interactions with water.
Would setting "tc-grps             =  SOL" be sufficient in this case? My
strong guess is that this is correct, but need to double-check.



More information about the gromacs.org_gmx-users mailing list