Hi Jestin, Read chapter 5 thoroughly :) It seems that in your topology file (minding the #includes) the directive [ system ] is given too early, e.g. before the definition of the [ moleculetypes ].
Tsjerk On 25 Nov 2007 05:51:50 -0000, JMandumpal <[EMAIL PROTECTED]> wrote: > Dear Gromacs users, > > When I tried to build up .tpr file for running energy minimisation, I > encountered some problems: > > This is the command I used: > > > grompp -f em.mdp -p topol.top -c out.gro -o pr.tpr > > > and I received the following error message: > > Fatal error: > Invalid order for directive system, file ""topol.top"", line 4 > ------------------------------------------------------- > > > How can I solve this? > > > regards, > Jestin Mandumpal > > > > _______________________________________________ > 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 > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623
_______________________________________________ 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