Hi Justin, Thank you very much. I did not know that... On Thu, Aug 13, 2009 at 8:42 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > Jamie Seyed wrote: > > my command is: >> genbox -cp f.gro -cs spc216.gro -o f_b4em.pdb -p topol.top -shell 0.5 >> -nmol 1 -ci insert.gro >> I also tried >> genbox -cp f.gro -cs spc216.gro -o f_b4em.pdb -p topol.top -shell 0.5 >> -nmol 1 -ci insert.gro -try 100 >> by using 20,30,40...,100 but each time was the same. (I also did it >> without shell command but no success) >> > > You can't run -cs and -ci at the same time; they must be done in separate > processes. I would also get rid of -shell, in any case. If you're filling > the box with water, adding an additional shell of solvent has no effect. > > -Justin > > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://lists.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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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