VMD-L Mailing List

From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Thu May 17 2018 - 12:40:08 CDT

I went through the FFTK tutorial to parameterize a drug molecule, but when I use VMD -> QwikMD -> load the protein pdb with drug in it, and

then structure manipulation -> add topo+param -> +, and then select my .str file for the drug, nothing happens. Nothing appears in the window/list

for Topology & Parameters Selection. I attached my .str file here. What am I missing? Thanks!

Kelly L. McGuire

PhD Scholar

Department of Physiology and Developmental Biology

Brigham Young University

LSB 3050

Provo, UT 84602