[gmx-users] Could not find force field in current directory

[Valentina Erastova]

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