Hi Jestin, As I said, the last line in the .gro file codes for the box. So, you have a singular box! You probably did something wrong with editconf. Did you give it box dimensions at all (-box/-d). Have a look at the help: editconf -h
Besides that, do have a look at the procedure you used to obtain the topology and such. You shouldn't have a non-integer total charge, as Justin pointed out. Cheers, Tsjerk On 4 Dec 2007 07:36:32 -0000, JMandumpal <[EMAIL PROTECTED]> wrote: > Dear users, > > What I see the difference between the .gro file given at the examples in > the tutor directory and my own .gro file is that > > the last lines gives 0.000 0.000 0.0000 in my file and in the examples it > is not. > > I assume it is the dimension of the box, isn' it? > > I built up the gro file using editconf -f *.pdb file. > > > > > regards > Jestin Mandumpal > > > [image: Reliance > Mobile]<http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/[EMAIL > PROTECTED]/1960866_1953803/1960349/1?PARTNER=3&OAS_QUERY=null+target=new+> > _______________________________________________ > 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
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