*hi ! I am getting this error with regard to table extensions. Any suggestions to overcome this would be greatly appreciated! Thanks Jayant James * Warning: 1-4 interaction between 429 and 434 at distance 1.002 which is larger than the 1-4 table size 1.000 nm These are ignored for the rest of the simulation This usually means your system is exploding, if not, you should increase table-extension in your mdp file
On Fri, Mar 28, 2008 at 11:42 AM, Yang Ye <[EMAIL PROTECTED]> wrote: > jayant james wrote: > > *hi! > I am attempting to run a distance & position restrained simulation in > water. The **distance and position restraining files are called from the > *.top file as posres.itp and disres.itp. After a 200ps run I do not see > the distance nor position restraining kicking in. I am not sure if I have > specified every thing correctly. I have pasted essential parts of the > topology file, em.mdp, pr.mdp, disres.itp and posres.itp. Awaiting your > feedback > Thanks > Jayant James > * > *TOP FILE* > > ; Include Position restraint file > #ifdef POSRES > ;include "posre.itp" > #endif > > ;include"disres.itp" > > Putting semicolon in front of the line effectively turns off that line. > > Regards, > Yang Ye > > _______________________________________________ > 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 > -- Jayasundar Jayant James www.chick.com/reading/tracts/0096/0096_01.asp) Residence -24935864, cell-9841042164
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