Dear All, In the on-line tutorial of Justin Lemkul (http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/index.html) for both lysozyme and the umbrella sampling, in the npt.mdp, there is "tc-grps = Protein Non-Protein ; two coupling groups". In the system of lysozyme, the system contains protein, SOL and CL-. In the system of umbrella sampling, the system contains protein, SOL, Na+ and CL-. Correspondingly will you please explain to me how "Non-Protein" group should be defined? Cheers, Acoot
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
