Skip to content

Commit b2b42da

Browse files
authored
Merge pull request #18 from dwhswenson/openmm-setup
Switch builder.openmm.org => OpenMM-Setup
2 parents 858c0ec + df8d4a5 commit b2b42da

File tree

1 file changed

+1
-1
lines changed

1 file changed

+1
-1
lines changed

1_tps_sampling_tutorial.ipynb

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -59,7 +59,7 @@
5959
"source": [
6060
"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",
6161
"\n",
62-
"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."
62+
"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."
6363
]
6464
},
6565
{

0 commit comments

Comments
 (0)