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
--
========================================
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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