[gmx-users] What is the difference of using "system" and separating groups for "tc-grps"?
ZHANG Cheng
272699575 at qq.com
Mon Jan 28 02:46:28 CET 2019
In the mdp file, I am using "tcoupl = v-rescale".
Is there a difference between using "system" and separating groups for "tc-grps"?
e.g.
; using "system":
tc-grps = system
tau-t = 1.0
ref-t = 335
; using separating groups:
tc-grps = Protein W NA CL
tau-t = 1.0 1.0 1.0 1.0
ref-t = 335 335 335 335
Thank you!
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