From: Vermaas, Joshua (
Date: Sun Aug 27 2017 - 13:39:21 CDT


Yes, with the caveat that you need to use the "evaltcl" framework, as
the python bindings are more of a stub right now from what I can tell.
So you'd do something like this, which I dug up from a setup script I
wrote for my own ends:

from VMD import evaltcl
evaltcl("cv molid top ; cv configfile ../distz.conf; cv update;")
result = float(evaltcl("cv colvar pos value"))
evaltcl("cv delete")

Basically any call where you actually care about the output should be
done separately from setup stuff and without semicolons so the output
isn't quashed. Setup lines can be fused together into one line just for
less typing.


On 08/25/2017 08:51 PM, wrote:
> n/Hello,
> I know how to use colvars module in VMD tcl mode. Is it also possible to
> use it after "gopython" in VMD?
> The colvars project seems have an interface of python
> here(
> Thanks,
> yjcoshc