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

[Justin Lemkul]

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

-- 
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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

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