[gmx-users] Could not find force field in current directory
valentina.erastova at durham.ac.uk
Wed Jan 23 20:16:00 CET 2013
Ooops, thank you very much!
Dyslexic people & computers are not a good combination!
On 23 Jan 2013, at 19:03, Justin Lemkul wrote:
> 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.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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