Dear Gromacs Users!
I have some questions about insertion protein into membrane with Gmembed 1) I've used default parameters from gmembed manual for preparing input for insertion integrator = md energygrp = Protein freezegrps = Protein freezedim = Y Y Y energygrp_table energygrp excl = Protein Protein Here Protein is my protein group in topology.top I've obtained 2 warning from gropp WARNING 1 [file gmembed.mdp, line 27]: Unknown left-hand 'energygrp' in parameter file WARNING 2 [file gmembed.mdp, line 27]: Unknown left-hand 'energygrp excl' in parameter file What does it means ? If I ignore those warnings I've obtain No energy groups defined. This is necessary for energy exclusion in the freeze group May be I should define freezegrps as my lipid group not a protein or use ndx file as an alternative ? Thanks, James
-- 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
