From 2ae04e389dd26a7582b5683118a85c052b0bdee5 Mon Sep 17 00:00:00 2001 From: ALescoulie Date: Thu, 9 Sep 2021 11:25:29 -0700 Subject: [PATCH] fix docs --- mdpow/analysis/ensemble.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mdpow/analysis/ensemble.py b/mdpow/analysis/ensemble.py index 27d90256..b106bb7c 100644 --- a/mdpow/analysis/ensemble.py +++ b/mdpow/analysis/ensemble.py @@ -68,7 +68,8 @@ class Ensemble(object): Typical workflow for adding universes individually:: ens = Ensemble() - ens.add_system(topology='md.gro', trajectory='md.xtc') + u = mda.Universe(md.gro', 'md.xtc') + ens.add_system(u) Topology paths can be specified when defining the _ensemble by giving the paths to each solvent topology in a dictionary