VMD-L Mailing List

From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Fri Nov 09 2018 - 14:12:21 CST

How do I concatenate or save the orbitals every step to a file that can be opened in VMD for viewing orbitals using the ORCA file type? I ran a QM/MM with ORCA.

Kelly L. McGuire

PhD Scholar

Biophysics

Department of Physiology and Developmental Biology

Brigham Young University

LSB 3050

Provo, UT 84602