Hello, This is a new warning that appears when executing version 3.3.2 of grompp to create a .tpr file. Should I be concerned?
WARNING 1 [file aminoacids.dat, line 1]: T-Coupling group PROTEIN has fewer than 10% of the atoms (504 out of 24494) Maybe you want to try Protein and Non-Protein instead? WARNING 2 [file aminoacids.dat, line 1]: T-Coupling group CL- has fewer than 10% of the atoms (5 out of 24494) Maybe you want to try Protein and Non-Protein instead? My mdp options are: ;; TEMPERATURE COUPLING tcoupl = berendsen tc_grps = PROTEIN SOL CL- tau_t = 0.1 0.1 0.1 ref_t = 300 300 300 Thank you, JW -- Jianwen A Feng Center for Computational Biology Washington University in St. Louis _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
