[gmx-users] What is the difference of using "system" and separating groups for "tc-grps"?

[ZHANG Cheng]

Thank you very much Eric Smoll!


I will use "tc_grps = Protein Non-Protein".




------------------ Original ------------------
From:  "ZHANG Cheng"<272699575 at qq.com>;
Date:  Mon, Jan 28, 2019 09:45 AM
To:  "gromacs.org_gmx-users"<gromacs.org_gmx-users at maillist.sys.kth.se>;

Subject:  What is the difference of using "system" and separating groups for "tc-grps"?



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!