[gmx-users] Does Non-Protein include SOL?
irem.altan at duke.edu
Tue May 10 22:47:19 CEST 2016
I am simulating a box of TIP4P water (NVT). For the temperature coupling I have the following:
; Temperature coupling is on
tcoupl = V-rescale ; modified Berendsen thermostat
tc-grps = SOL ; two coupling groups - more accurate
tau_t = 0.1 ; time constant, in ps
ref_t = 277 ; reference temperature, one for each group, in K
When I set tc-grps to Non-Protein, GROMACS complains that such a group does not exist. I’d have thought Non-Protein would include SOL. What does Non-Protein refer to exactly?
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