From df8d4a5fc5d7bee1c9f25f793312f7b31afe82ed Mon Sep 17 00:00:00 2001 From: "David W.H. Swenson" Date: Wed, 10 Nov 2021 14:56:18 -0500 Subject: [PATCH] builder.openmm => OpenMM-Setup --- 1_tps_sampling_tutorial.ipynb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/1_tps_sampling_tutorial.ipynb b/1_tps_sampling_tutorial.ipynb index bf34b4e..195bfe1 100644 --- a/1_tps_sampling_tutorial.ipynb +++ b/1_tps_sampling_tutorial.ipynb @@ -59,7 +59,7 @@ "source": [ "The next cell shows you how to set up several things specific to OpenMM. We'll be running in the $NVT$ ensemble, with $T=300 K$. We're using the [Velocity Verlet with Velocity Randomization (VVVR) integrator](http://arxiv.org/abs/1301.3800), which simulates Langevin dynamics. Note that the integrator itself comes from [`openmmtools`](https://github.com/choderalab/openmmtools), a library that extends OpenMM. You should always use a reversible integrator when performing path sampling simulations. The default integrators in OpenMM are leapfrog-based, and therefore not reversible.\n", "\n", - "You can learn a lot more about setting up OpenMM simulations from the [OpenMM documentation](http://docs.openmm.org/). However, it is often even easier to use the [OpenMM Script Builder](http://builder.openmm.org/) to learn how to set up the simulation the way you'd like." + "You can learn a lot more about setting up OpenMM simulations from the [OpenMM documentation](http://docs.openmm.org/). However, it is often even easier to use [OpenMM-Setup](https://github.com/openmm/openmm-setup/) to learn how to set up the simulation the way you'd like." ] }, {