Just a follow up. I have also tried using g_x2top and I am getting the same error.
Kind regards, Valentina __________________________ Dr Valentina Erastova Postdoctoral Research Assistant Department of Earth Sciences Durham University Editor-in-Chief, Kaleidoscope +44 786 131 6686 On 23 Jan 2013, at 18:37, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 1/23/13 1:22 PM, Valentina Erastova wrote: >> Dear all, >> >> I am having a bit of problem with pdb2gmx, when using self written force >> field. >> >> I have created ClayyFF.ff containing: >> atomtypes.atp ffbonded.itp ffnonbonded.itp forcefield.doc >> forfecield.itp molecule.rtp >> >> also I have residuetypes.dat, stored next to the ClayFF.ff directory. >> >> >> I run: >> $ pdb2gmx -f ldh21-edit.pdb -o ldh.gro -p ldh.top -ff ClayFF -ignh >> >> I get an error: >> >> Fatal error: >> Could not find force field 'ClayFF' in current directory, install tree or >> GMXDATA path. >> >> But the folder ClayFF.ff is in the directory I am running from: >> >> >> $ ls >> ClayFF.ff ldh21-edit.pdb ldh21.pdb >> residuetypes.dat >> >> >> Could you, please, indicate where the problem may be? >> > > What version of Gromacs is this? I cannot reproduce the problem with 4.5.5 > or 4.6. > > -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 > > ======================================== > -- > 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 -- 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
