Dear all, Thank you for your help and comments on abovementioned problem. In the end though it turned out that the large potentials were caused by overlapping rings (two rings were going through inside each other) which genbox unfortunately somehow had generated. I hadn't though of that myself until a colleague made a remark that this might be the case. I used genconf to do another simulation box, where there is no chance of this happening, and my results turned out rather good.
Happy New Year! Best wishes, Henri -- ----------------------------------- Dr. Henri K. Ervasti Delft University of Technology Process & Energy Laboratory Leeghwaterstraat 44 k. 0.30 2628CA Delft Netherlands e-mail: [email protected] phone: +31 (0)15 27 86662 fax: +31 (0)15 27 82460 -- gmx-users mailing list [email protected] http://lists.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
