From bbca0c8f0492b91432afc5034fd9aa9f6ef5ff28 Mon Sep 17 00:00:00 2001 From: Artem Zhmurov Date: Tue, 26 Oct 2021 10:31:14 +0300 Subject: [PATCH] Fix the cobined bending-torsion potential entry in reference manual 1. The k_phi was referenced with wrong key 2. Only k_phi has units, so they should not be at the end of the line Introduced in b08db8bb4c46e76e067ce09a2e8d43390e445575 --- docs/reference-manual/topologies/topology-file-formats.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/reference-manual/topologies/topology-file-formats.rst b/docs/reference-manual/topologies/topology-file-formats.rst index 3900c70e79..b4caca510a 100644 --- a/docs/reference-manual/topologies/topology-file-formats.rst +++ b/docs/reference-manual/topologies/topology-file-formats.rst @@ -244,7 +244,7 @@ interactions can be converted to constraints by :ref:`grompp `. +------------------------------------+----------------------------+------------+-----------+-------------------------------------------------------------------------+------------+ | restricted dihedral | ``dihedrals`` | 4 | 10 | |PHI0| (deg); |KPHI| (|KJM|) | | +------------------------------------+----------------------------+------------+-----------+-------------------------------------------------------------------------+------------+ - | combined bending-torsion potential | ``dihedrals`` | 4 | 11 | |k_phi|, |A0|, |A1|, |A2|, |A3|, |A4|, (|KJM|) | | + | combined bending-torsion potential | ``dihedrals`` | 4 | 11 | |KPHI| (|KJM|); |A0|, |A1|, |A2|, |A3|, |A4| | | +------------------------------------+----------------------------+------------+-----------+-------------------------------------------------------------------------+------------+ | exclusions | ``exclusions`` | 1 | | one or more atom indices | | +------------------------------------+----------------------------+------------+-----------+-------------------------------------------------------------------------+------------+ -- 2.22.0