From: McGuire, Kelly (
Date: Fri May 18 2018 - 11:58:14 CDT

I am optimizing a novel drug/molecule using FFTK, and at the Optimize Charges step, I get this error:

can't read "ljPars(HGA2)": no such element in array

I have attached the input files as well as the debugging log. I don't see why the plugin thinks HGA2 does not exist. It is in the PDB, PSF, and PAR files...

Kelly L. McGuire

PhD Scholar

Department of Physiology and Developmental Biology

Brigham Young University

LSB 3050

Provo, UT 84602

  • application/octet-stream attachment: AMT.1.pdb