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> Thanks. On Wed, Jun 13, 2012 at 7:52 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > On 6/13/12 7:36 AM, Malai wrote: > >> Hi, >> >> I used the command following to generate .tpr file for production but I >> got the >> following error. Without considering this error, I run production but it >> is >> working now. any problem will be in production? >> >> > The command below makes no sense; how is it that you were able to produce > a .tpr file for your simulation? > > > -v -f hex1.mpb -c hex1.pdb -p hex1.top -o hex1.pdb >> >> > This is not the command you typed (it contains several errors, both > logical and typographical), and it certainly has nothing to do with the > error below, as no reference is made to a file called "hex1.gro." When > reporting problems, please always copy and paste directly from your > terminal. Re-typing what you think you typed is error prone and wastes > time. > > > 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> >> >> > I/O errors occur when either a file isn't found in the working directory > (i.e. doesn't exist) or can't be produced (insufficient permission or disk > space to write the file). > > -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> >
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