[gmx-users] non-global thermostatting
nedomacho at gmail.com
Tue Jul 31 21:44:56 CEST 2018
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.
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