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Commit 7fcf66b7 authored by Gareth Tribello's avatar Gareth Tribello
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Small fix to manual for HBOND_MATRIX

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......@@ -70,12 +70,15 @@ PLUMED_REGISTER_ACTION(HBondMatrix,"HBOND_MATRIX")
void HBondMatrix::registerKeywords( Keywords& keys ){
AdjacencyMatrixBase::registerKeywords( keys );
keys.add("atoms-1","ATOMS","The list of atoms which can be part of a hydrogen bond. When this command is used the set of atoms that can donate a "
keys.add("atoms","ATOMS","The list of atoms which can be part of a hydrogen bond. When this command is used the set of atoms that can donate a "
"hydrogen bond is assumed to be the same as the set of atoms that can form hydrogen bonds. The atoms involved must be specified"
"as a list of labels of \\ref mcolv or labels of a \\ref multicolvarfunction actions. If you would just like to use "
"the atomic positions you can use a \\ref DENSITY command to specify a group of atoms. Specifying your atomic positions using labels of "
"other \\ref mcolv or \\ref multicolvarfunction commands is useful, however, as you can then exploit a much wider "
"variety of functions of the contact matrix as described in \\ref contactmatrix");
keys.add("atoms","HYDROGENS","The list of hydrogen atoms that can form part of a hydrogen bond. The atoms must be specified using a comma separated list, "
"an index range or by using a \\ref GROUP. A list of hydrogen atoms is always required even if you specify the other atoms using "
"DONORS and ACCEPTORS as described below.");
keys.add("atoms-2","DONORS","The list of atoms which can donate a hydrogen bond. The atoms involved must be specified "
"as a list of labels of \\ref mcolv or labels of a \\ref multicolvarfunction actions. If you would just like to use "
"the atomic positions you can use a \\ref DENSITY command to specify a group of atoms. Specifying your atomic positions using labels of "
......@@ -86,8 +89,6 @@ void HBondMatrix::registerKeywords( Keywords& keys ){
"the atomic positions you can use a \\ref DENSITY command to specify a group of atoms. Specifying your atomic positions using labels of "
"other \\ref mcolv or \\ref multicolvarfunction commands is useful, however, as you can then exploit a much wider "
"variety of functions of the contact matrix as described in \\ref contactmatrix");
keys.add("atoms","HYDROGENS","The list of hydrogen atoms that can form part of a hydrogen bond. The atoms must be specified using a comma separated list, "
"an index range or by using a \\ref GROUP");
keys.add("numbered","SWITCH","The \\ref switchingfunction that specifies how close a pair of atoms must be together for there to be a hydrogen bond between them");
keys.add("numbered","HSWITCH","The \\ref switchingfunction that specifies how close the hydrogen must be to the donor atom of the hydrogen bond for it to be "
"considered a hydrogen bond");
......
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