Hi, I am new to gromacs, I wold like to calculate the total energy of a protein molecule, in other words i have pdb structures what is the energy of this molecule? Is there any option to in GROMACS to do this.
Thanks in advance Regards Chandu -------------------------------------------------- C.Chandra Sekhar Reddy (Research Scholar) Laboratoire de Biochimie et Génétique Moléculaire Université de La Réunion 15, avenue René Cassin 97715 Saint Denis Messag Cedex 09 La Réunion, France Tel : +262 262 93 8641 MOB +262 (0)692 44 49 42 Fax : +262 262 93 8237 -------------------------------------------------- _______________________________________________ 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
