VMD-L Mailing List

From: Daniel Fellner (dfel694_at_aucklanduni.ac.nz)
Date: Wed Sep 22 2021 - 03:02:06 CDT

Hi everyone,

I was wondering if there was a simple way to generate multiple Gaussian
input files for conformers of a molecule originating from one mol2 (or pdb)
file? There are too many conformers to do it manually editing the First and
Last fields in Save Coordinates.

*Daniel Fellner BSc(Hons)*
PhD Candidate
School of Chemical Sciences
University of Auckland
Ph +64211605326