
This directory contains topology and parameter files that are
compatible with CHARMM but are not part of the CHARMM force field
development efforts.  The parameters have been approved by the
original developers, or individuals closely associated with those
developers.  However, they have not been exhaustively tested in the
context of CHARMM and are not supported.  Please carefully read the
header sections of the respective files to obtain information on their
proper use along with the appropriate references.

BMS nucleic acid force field

par_bms_dec03.prm
top_bms_dec03.rtf

AMBER Cornell 94 force field for proteins and nucleic acids and the
1998 variant of the nucleic acid parameters. Requires CHARMM compiled
with AMBER keyword in pref.dat.  Note that such versions of CHARMM can
NOT be used with the CHARMM force field.

top_amber_cornell.inp
par_amber_cornell.inp
par_amber_98.inp

parm14sb_all.rtf, parm14sb_all.prm: added July 2015

Additional versions of CHARMM compatible AMBER files may be obtained
from Jeff Klauda's website:

http://www.glue.umd.edu/~jbklauda/research/download.html
or
http://terpconnect.umd.edu/~jbklauda/research/download.html

OPLS AA protein force field along with ligand parameters. Requires
CHARMM compiled with OPLS keyword in pref.dat.

top_opls_aa.inp
par_opls_aa.inp
par_opls_ligand.inp

top_opls_aam.inp
par_opls_aam.inp: added July 2015

Version of Amber FF99SB* from Robert Best (not
tested). e_corr_ff99sb.pdf contains the energy correction that
converts the FFSB99 backbone potential to FFSB99*

charmm_ff99sbstar.tgz

Stream files containing various water models.  Note that the water
atom types are the same as in the TIP3P model such that the following
files can NOT be used simultaneously with the TIP3P model in the
default toppar_water_ions.str file.  This can be overcome by changing
the water atom types in the following files.

Caution: The models with LPs fail with late versions of C36
(post-fortran 90 conversion) and early versions of C37

toppar_water_ions_spc.str
toppar_water_ions_spc_e.str
toppar_water_ions_tip3p_pme_b.str
toppar_water_ions_tip3p_pme_f.str
toppar_water_ions_tip4p.str
toppar_water_ions_tip4p_2005.str
toppar_water_ions_tip4p_ew.str
toppar_water_ions_tip5p.str
toppar_water_ions_tip5p_ew.str

GROMACS

A full representation of the charmm36 FFs is in the gromacs
subdirectory.  See mackerell lab web page for additional information.
