Re: Script for Terachem QMMM

From: Marcelo C. R. Melo (
Date: Thu Dec 14 2017 - 15:45:59 CST

Hi Chris,
Thank you for reaching out. We do have a script for tera-chem, but some
oversight kept it from the webpage.
The webpage <> has been updated with
the script to call tera-chem from NAMD's QM/MM internal interface.

if the link above did not work, use this:


Marcelo Cardoso dos Reis Melo
PhD Candidate
Luthey-Schulten Group
University of Illinois at Urbana-Champaign
+1 (217) 244-5983
On 14 December 2017 at 03:29, Chris Butch <> wrote:
> Hello,
> Does anyone have a working prototype available for the Terachem QMMM
> script? I would be happy to help contribute to development, but prefer not
> to reinvent the wheel if there is something functional out there.
> Best
> Chris Butch, PhD
> Scientist
> Emory University

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:45 CST