Of course. I'm using version 3.3.3 of GROMACS. -Shay -----Original Message----- From: [email protected] [mailto:[email protected]] On Behalf Of Mark Abraham Sent: Tuesday, December 30, 2008 02:59 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Forces are large - How to track down the culprit
Shay Amram wrote: > Greetings dear Gromacs users, > > > > I have recently been simulating a POPG membrane* in water (SPC). Several > of my simulations after running well into the 10ns and 20ns are > sometimes getting a "Forces for atom X are large". > > I'm rather unsure as to the cause of this situation. Moreover, as far as > I can tell from viewing the simulation, the system _does NOT_ explode > (as may be suggested by wiki.gromacs and some previous answers to this > kind of situation). The rest of the simulation looks much as it did in > the beginning. > > I would be interested (and thankful!) to hear any of your opinions as to > why I'm getting this message (or how to catch the culprit), and more > importantly, how to prevent it from happening in the future. During this version-transitive period, it's always right to report the GROMACS version that you're using. It would normally be right to be using the most recent version (4.0.2) if encountering problems. Mark _______________________________________________ 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 _______________________________________________ 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
