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? Many thanks, Valentina __________________________ Dr Valentina Erastova Postdoctoral Research Assistant Department of Earth Sciences Durham University Editor-in-Chief, Kaleidoscope +44 786 131 6686 -- 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
