Hi, In my .mdp file, I set "tcoupl = no" and "pcoupl = no". This way, I am using the NVE ensemble. However, when I run grompp using this .mdp file, the grompp output includes the following line:
Number of degrees of freedom in T-Coupling group rest is 261.00 My question is, why does the grompp output refer to "T-Coupling" if I have set "tcoupl = no"? Does this make sense? (I have also _not_ specified tc_grps, tau_t, or ref_t in my .mdp file.) Thanks for your time! Andrew DeYoung Carnegie Mellon University -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
