Dear Justin, thank you for your reply. Yes, you are right , I have corrected it already and now it works well. Cheers, Safa
On 11 June 2013 09:53, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 6/10/13 8:51 PM, Souilem Safa wrote: > >> Dear gromacs users, >> >> I'm trying to simulate a single molecule in cyclohexane. >> I made a box of my molecule using editconf command and next I solvate with >> cyclohexane using genbox command : >> genbox -cp newbox_DRG.gro -cs chx.gro -p chx_DRG.top -o chx_DRG.gro >> >> I did next a position restraint in the topolgy file and I tried to >> minimize, i got this fatal error: >> Fatal error: >> No such moleculetype CHX >> >> What could be the origin of this error. >> > > You probably forgot to #include the topology that introduces CHX as a > valid [moleculetype]. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<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<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/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/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
