Loading doc/src/fix_cmap.txt +6 −6 Original line number Diff line number Diff line Loading @@ -56,7 +56,7 @@ CMAP :pre 1 1 8 10 12 18 20 2 5 18 20 22 25 27 ... \[...\] N 3 314 315 317 318 330 :pre The first column is an index from 1 to N to enumerate the CMAP terms; Loading @@ -66,7 +66,7 @@ remaining 5 columns are the atom IDs of the atoms in the two 4-atom dihedrals that overlap to create the CMAP 5-body interaction. Note that the "crossterm" and "CMAP" keywords for the header and body sections match those specified in the read_data command following the data file name; see the "read_data"_doc/read_data.html doc page for data file name; see the "read_data"_read_data.html doc page for more details. A data file containing CMAP crossterms can be generated from a PDB Loading Loading @@ -124,9 +124,9 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages. :line (Buck) Buck, Bouguet-Bonnet, Pastor, MacKerell Jr., Biophys J, 90, L36 :link(Buck) [(Buck)] Buck, Bouguet-Bonnet, Pastor, MacKerell Jr., Biophys J, 90, L36 (2006). (Brooks) Brooks, Brooks, MacKerell Jr., J Comput Chem, 30, 1545 (2009). :link(Brooks) [(Brooks)] Brooks, Brooks, MacKerell Jr., J Comput Chem, 30, 1545 (2009). doc/src/fixes.txt +1 −0 Original line number Diff line number Diff line Loading @@ -24,6 +24,7 @@ Fixes :h1 fix_bond_create fix_bond_swap fix_box_relax fix_cmap fix_colvars fix_controller fix_deform Loading doc/src/lammps.book +1 −0 Original line number Diff line number Diff line Loading @@ -147,6 +147,7 @@ fix_bond_break.html fix_bond_create.html fix_bond_swap.html fix_box_relax.html fix_cmap.html fix_colvars.html fix_controller.html fix_deform.html Loading Loading
doc/src/fix_cmap.txt +6 −6 Original line number Diff line number Diff line Loading @@ -56,7 +56,7 @@ CMAP :pre 1 1 8 10 12 18 20 2 5 18 20 22 25 27 ... \[...\] N 3 314 315 317 318 330 :pre The first column is an index from 1 to N to enumerate the CMAP terms; Loading @@ -66,7 +66,7 @@ remaining 5 columns are the atom IDs of the atoms in the two 4-atom dihedrals that overlap to create the CMAP 5-body interaction. Note that the "crossterm" and "CMAP" keywords for the header and body sections match those specified in the read_data command following the data file name; see the "read_data"_doc/read_data.html doc page for data file name; see the "read_data"_read_data.html doc page for more details. A data file containing CMAP crossterms can be generated from a PDB Loading Loading @@ -124,9 +124,9 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages. :line (Buck) Buck, Bouguet-Bonnet, Pastor, MacKerell Jr., Biophys J, 90, L36 :link(Buck) [(Buck)] Buck, Bouguet-Bonnet, Pastor, MacKerell Jr., Biophys J, 90, L36 (2006). (Brooks) Brooks, Brooks, MacKerell Jr., J Comput Chem, 30, 1545 (2009). :link(Brooks) [(Brooks)] Brooks, Brooks, MacKerell Jr., J Comput Chem, 30, 1545 (2009).
doc/src/fixes.txt +1 −0 Original line number Diff line number Diff line Loading @@ -24,6 +24,7 @@ Fixes :h1 fix_bond_create fix_bond_swap fix_box_relax fix_cmap fix_colvars fix_controller fix_deform Loading
doc/src/lammps.book +1 −0 Original line number Diff line number Diff line Loading @@ -147,6 +147,7 @@ fix_bond_break.html fix_bond_create.html fix_bond_swap.html fix_box_relax.html fix_cmap.html fix_colvars.html fix_controller.html fix_deform.html Loading
