From d1acd0c88f95f0f20be8ccdc97062e496dace972 Mon Sep 17 00:00:00 2001 From: Stefan Doerr Date: Wed, 13 Dec 2023 17:52:27 +0200 Subject: [PATCH] minor fix in dcd reader --- moleculekit/readers.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/moleculekit/readers.py b/moleculekit/readers.py index f2fa724..6322bd6 100644 --- a/moleculekit/readers.py +++ b/moleculekit/readers.py @@ -2750,7 +2750,7 @@ def DCDread(filename, frame=None, topoloc=None, stride=None, atom_indices=None): if stride is None: stride = 1 initial = 0 - time = (stride * np.arange(len(xyz))) + initial + time = (stride * np.arange(xyz.shape[2])) + initial return MolFactory.construct( None, Trajectory(