Dear community, I'm trying to extract an energy matrix from an energy file ( .edr) But, the program g_enemat require -groups optioin with Generic data file (groups.dat). At the help page, there is an example like following: ------------ 2 Protein SOL ------------
How to define the group files of -groups option? I want to see the energy trajectory of specific residues or atoms. Thank you ! -- Keunwan Park Protein BioInformatics Laboratory Department of BioSystems Korea Advanced Institute of Science and Technology 373-1, Guseong-dong, Yuseong-gu, Daejeon, 305-701, Republic of Korea * The truth is always simple and beautiful Telephone : +82-42-869-5357 | Fax: +82-42-869-4310 E-mail : [EMAIL PROTECTED] _______________________________________________ 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
