Fix the cobined bending-torsion potential entry in reference manual
authorArtem Zhmurov <zhmurov@gmail.com>
Tue, 26 Oct 2021 07:31:14 +0000 (10:31 +0300)
committerAndrey Alekseenko <al42and@gmail.com>
Tue, 26 Oct 2021 12:30:45 +0000 (12:30 +0000)
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

index 3900c70e79af60a55bd3dc1adaa6fa58ca08b250..b4caca510aaa76093c32c51c2287619ca2dce533 100644 (file)
@@ -244,7 +244,7 @@ interactions can be converted to constraints by :ref:`grompp <gmx 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                                                |            |
             +------------------------------------+----------------------------+------------+-----------+-------------------------------------------------------------------------+------------+