Dear Mark, The installation works for other systems. The error happens in either EM or MD. When I turn off all interaction potentials, the forces between all particles should be zero, shouldn't they? Could you please tell me why the initial forces are NaN? Thanks!
All the best! Dongsheng -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Mark Abraham Sent: Sunday, November 11, 2007 9:04 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] force=nan in frame 0 dongsheng zhang wrote: > Dear Mark, > > Thank you for your reply. I have used gromacs before. In fact, I have > built this FF before, and using it successfully. My old computer was > crashed, so I need to do it again. The potential energies looked fine > in the md.log. Even I turn off all potentials. I still get the initial > foce = nan. Could you please give me any suggest about it? Can't tell. You still haven't told us what you were trying to do when it crashed. EM, MD? Did you minimize and/or equilibrate? Does this installation run other systems? Mark _______________________________________________ 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 _______________________________________________ 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
