Loading doc/src/dihedral_charmm.txt +9 −1 Original line number Diff line number Diff line Loading @@ -138,7 +138,15 @@ more instructions on how to use the accelerated styles effectively. [Restrictions:] This dihedral style can only be used if LAMMPS was built with the When using run_style "respa"_run_style.html, these dihedral styles must be assigned to the same r-RESPA level as {pair} or {outer}. When used in combination with CHARMM pair styles, the 1-4 "special_bonds"_special_bonds.html scaling factors must be set to 0.0. Otherwise non-bonded contributions for these 1-4 pairs will be computed multiple times. These dihedral styles can only be used if LAMMPS was built with the MOLECULE package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info on packages. Loading Loading
doc/src/dihedral_charmm.txt +9 −1 Original line number Diff line number Diff line Loading @@ -138,7 +138,15 @@ more instructions on how to use the accelerated styles effectively. [Restrictions:] This dihedral style can only be used if LAMMPS was built with the When using run_style "respa"_run_style.html, these dihedral styles must be assigned to the same r-RESPA level as {pair} or {outer}. When used in combination with CHARMM pair styles, the 1-4 "special_bonds"_special_bonds.html scaling factors must be set to 0.0. Otherwise non-bonded contributions for these 1-4 pairs will be computed multiple times. These dihedral styles can only be used if LAMMPS was built with the MOLECULE package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info on packages. Loading
