From 24fe95a37e736e774d3033bf7ea18e68b0fd2e4e Mon Sep 17 00:00:00 2001 From: Gareth Aneurin Tribello Date: Thu, 13 Jun 2024 20:46:12 +0100 Subject: [PATCH] Fixed manual for MassChangeInput action --- src/generic/MassChargeInput.cpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/generic/MassChargeInput.cpp b/src/generic/MassChargeInput.cpp index cec53217e6..15763001bd 100644 --- a/src/generic/MassChargeInput.cpp +++ b/src/generic/MassChargeInput.cpp @@ -51,6 +51,8 @@ PLUMED_REGISTER_ACTION(MassChargeInput,"READ_MASS_CHARGE") void MassChargeInput::registerKeywords(Keywords& keys) { ActionShortcut::registerKeywords( keys ); keys.add("compulsory","FILE","a pdb file that contains the masses and charges of the atoms in the beta and occupancy columns"); + keys.addOutputComponent("mass","default","the masses of the atoms in the system"); + keys.addOutputComponent("charges","default","the masses of the atoms in the system"); keys.needsAction("CONSTANT"); }