Hello Justin, Thanks for reply. After getting this, I started to run production run but here i didnt get any error. so is it OK? or still I need to look at this error? Thanks
On Wed, Jun 13, 2012 at 8:35 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > On 6/13/12 8:27 AM, Malai wrote: > >> HI, >> >> Sorry for wrongly typing. The command I issued is: grompp -v -f hex1.mdp >> -c >> hex1.pdb -p hex1.top -o hex1.tpr. >> >> The error is bellow: >> >> >> Error: >> Program grompp, VERSION 4.5.4 >> Source code file: futil.c, line: 491 >> >> File input/output error: >> hex1.gro >> For more information and tips for troubleshooting, please check the >> GROMACS >> website at >> http://www.gromacs.org/__**Documentation/Errors<http://www.gromacs.org/__Documentation/Errors> >> <http://www.gromacs.org/**Documentation/Errors<http://www.gromacs.org/Documentation/Errors> >> > >> >> > Even with the corrected command, I see no way for this error to come up. > There is no reference to a .gro file anywhere in your command. > > > -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
