I have replaced all HW by H in ffnonbonded.itp.After executing the command: grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr
I am getting this error: File input/output error: dppc128.gro should I replace all HW with H (without delecting numbers that is given in dppc128.pdb alongwith HW) in dppc128.pdb file? On Mon, Jan 23, 2012 at 6:41 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Anushree Tripathi wrote: > >> I am going through the Justin Lemku tutorial for KALP15 in DPPC. I have >> reached step three, when I try to generate a trp file for DPPC only by >> means of : >> >> grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr >> >> I get the following warning: >> >> Fatal error: >> Atomtype OW not found >> >> Any idea as to what causes this problem? >> > > You constructed the force field incorrectly by deleting or commenting out > a line (or more) related to OW. Re-check the instructions provided in the > tutorial. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > 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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