From 85c8fb2d41e60bb38ad23f0a2283a6447ed0c294 Mon Sep 17 00:00:00 2001 From: bc118 Date: Tue, 21 Nov 2023 17:43:11 -0500 Subject: [PATCH] change fit_a_dihedral_with_Gaussian_and_write_all_files.rst link from my personal link to WSU page link --- .../fit_a_dihedral_with_Gaussian_and_write_all_files.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/getting_started/quick_start/fit_a_dihedral_with_Gaussian_and_write_all_files.rst b/docs/getting_started/quick_start/fit_a_dihedral_with_Gaussian_and_write_all_files.rst index 1dd2f78..3649d81 100644 --- a/docs/getting_started/quick_start/fit_a_dihedral_with_Gaussian_and_write_all_files.rst +++ b/docs/getting_started/quick_start/fit_a_dihedral_with_Gaussian_and_write_all_files.rst @@ -118,7 +118,7 @@ The propionic acid CT-CT-C-OH dihedral fit example is provided below. This is an CT-CT-C-OH and CT-CT-C-O, by fitting the CT-CT-C-OH and zeroing the CT-CT-C-O, which makes it easier to fit. Additionally, one can perform the dihedral fit with QM calculations with any QM engine as long as they are in the -`Gaussian style output files format `_ +`Gaussian style output files format `_ together with the GOMC Molecular Mechanics (MM) engine, and write out all the viable dihedral fits via the standard OPLS equation. It also outputs the periodic dihedral format and the RB torsions format, which are analytically converted from the standard OPLS dihedral fit.