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document new restrictions to CHARMM compatible dihedral styles

This commit is contained in:
Axel Kohlmeyer 2017-06-21 19:31:40 -04:00
parent 0c6a751751
commit de3157f720
1 changed files with 9 additions and 1 deletions
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10
doc/src/dihedral_charmm.txt
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@ -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.