Dear Yang Ye, Thank you very much for your reply. You are very helpful in my experience. I turned off the nb interaction by c6=0, c12 = 0. If you need my force field, I can give you the package for testing.
All the best! Dongsheng ----- Original Message ---- From: Yang Ye <[EMAIL PROTECTED]> To: Discussion list for GROMACS users <[email protected]> Sent: Monday, November 12, 2007 2:33:38 PM Subject: Re: [gmx-users] force=nan in frame 0 how do you turn off the interactions? e.g. setting rvdw=0 doesn't mean turning of vdw interactions. Regards, Yang Ye On 11/13/2007 12:55 AM, dongsheng zhang wrote: > 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 [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 > > > _______________________________________________ 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 __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
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