From: Giacomo Fiorin (
Date: Thu Nov 22 2018 - 19:25:45 CST

Hello Guilherme, to use a Python version that is not ancient you need to
build your own VMD, instead of using a pre-compiled build. This will also
require manually editing the configure script, which has 2.5 hard-coded.

See also:

On Thu, Nov 22, 2018 at 2:53 PM Guilherme da Silva <>

> Dear users,
> Have anyone tried to use the python3 interpreter inside VMD? I was hoping
> to use the numpy I have installed with Anaconda in order to do some
> trajectory post-process.
> I naively tried to play with PYTHONHOME and PYTHONPATH variables. The
> gopython really recognizes the anaconda path, but keeps loading an
> intrinsic 2.5 python version.
> If nothing else, the only way to use numpy is to install an python2.5 in
> order to install an appropriated version of numpy? I can mention the
> alternative, but I was really
> hoping some way to load the python3 or python2.7 libraries in the vmd
> interpreter.
> Thank you very much,
> Guilherme

Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD