Good ideia Dr Hess! Only more thing. I would have to rerun the simulation to make the C atoms of ethanol 1 and 2 (since my C atoms have index 1 and 5)? Or there is another more practical way of change the index of atoms? eef
_______________________________________ Eudes Eterno Fileti Centro de Ciência Naturais e Humanas Universidade Federal do ABC Rua Santa Adélia, 166 CEP 09210-170 skype: eefileti _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
