[EMAIL PROTECTED] wrote: > Hi all, > > I am a freshman in using gromacs. According to my unstanding, the > "potential" in g_energy > > indicates the system's potential energy. Now I want to know the > potential energy of a specific > > group, such as the protein. How should I get it? Could anybody give > me any help ? Thanks a lot!
Either follow Yang's after-the-fact approach, or read section 3.4, 7.3.7 and 8.1 of the manual, or preferably both. Mark _______________________________________________ gmx-users mailing list [email protected] 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
