Hi, You shall
1. Extract the protein coordinates (use trjconv and select groups) from your trajectory file (.xtc). 2. Make a .tpr file which only contains protein. 3. Use mdrun -rerun to process the trajectory file obtained from 1. Regards, Yang Ye On 8/5/2007 4:28 PM, [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! > > Paul > > > > ------------------------------------------------------------------------ > 我积分，我得奖，天天乐透！ > <http://goto.mail.sohu.com/goto.php3?code=mailadt-ta1> > *用搜狗拼音写邮件，体验更流畅的中文输入>> > <http://goto.mail.sohu.com/goto.php3?code=mailadt-ta> > > ------------------------------------------------------------------------ > > _______________________________________________ > 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 _______________________________________________ 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
