David van der Spoel ha scritto: > On 1/7/10 9:00 PM, ms wrote: >> Update: It seems that, fixing the attractive values, the repulsive >> values are well-behaved as well and the large errors disappear. >> >> Sorry for bothering you! I was fixated on the repulsion and I didn't >> notice the blunder on the attraction... >> >> However it would be nice to know, just for the record, why errors in the >> attraction lead to the weird oscillations in the repulsion... >> >> cheers, >> M. > Can you please file a bugzilla? This behavior does not seem correct. > Please upload the necessary files to reproduce the problem.
Ok, I will try to do that tomorrow. Thanks for help. m. -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
