VMD-L Mailing List

From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Fri May 18 2018 - 23:59:48 CDT

In the FFTK tutorial, the optimized charges for ethanol are compared to the CGENFF values in Table 1 (page 22) by atom name. Where do I find the CGENFF charges for each

atom name/type so I can compare my molecule atom charges to the CGENFF charges? Thanks!

Kelly L. McGuire

PhD Scholar

Department of Physiology and Developmental Biology

Brigham Young University

LSB 3050

Provo, UT 84602