[gmx-users] Could not find force field in current directory
jalemkul at vt.edu
Wed Jan 23 20:03:28 CET 2013
On 1/23/13 1:50 PM, Valentina Erastova wrote:
> Awesome. Thank you very much.
> I will email you a zip.
I found the problem:
>>>>> atomtypes.atp ffbonded.itp ffnonbonded.itp forcefield.doc forfecield.itp molecule.rtp
Your forcefield.itp is spelled wrong. As such, the force field directory is not
properly recognized. Renaming it to forcefield.itp works, up to the point where
your molecule has mismatching atoms, but I'll leave that for you to sort out.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users