>>Because GROMACS is a great software. > Thanks for the reply, what may be the reason GROMACS became great?
Please see the tutorial as for algorithms for non-bonded interactions in gromacs. >> > 2.If do minisation while running shows that >> > Back Off! I just backed up step53.pdb what may be the reason? >> >>The system is exploding. > sometimes though system explodes it will generate energy minimisation > output.gro file we cant use this file for further run? If the system is exploding the right way will be to re-initialize it (or just add the part causing the problems) from the very beginning to be sure everything is correct. -Vitaly _______________________________________________ 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
