# test topology generate/dump feature
acn.inp                   2
#metadynamics distance_point_plane and angle
nh3-meta-1.inp            2
nh3-meta-ref.inp          0
nh3-meta-ref2.inp         0
nh3-meta-2.inp            2
#collective constraint both for nve and npt
ethene_colv0.inp                  2     8e-10
ethene_colv1.inp                  2     8e-10
ethene_colv1_npt.inp              2     4e-09
ethene_colv2.inp                  2     5e-11
ethene_colv2_npt.inp              2     2e-11
#
# test restraints here
# flexible partitioning
H2O-32_SPME_fp.inp        2
# dist and bend
H2O-restraint.inp         2
# torsion
ethene-restraint.inp      2
ethene-restraint2.inp     2
#next two are a double crossed check
ethene-no-restraint.inp   2
ethene-ck-restraint.inp   2
#restraint 3x3
H2O-restraint_3x3.inp     2
#restraint 4x6
nh3-restraint4x6.inp      2
#restraint fixed_atoms
nh3-restraint-fixd.inp    2
#
# testing loops in topology
loop.inp                  2
pentadiene.inp                    2     6e-12
cyhex.inp                 2
cycbut.inp                2
# testing cp_units
H2O-1.inp                 2
# Testing multiple potential
H2O-2-mul0.inp            2
H2O-2-ovwr.inp            2
H2O-2-multi.inp           2
H2O-2-multi-pw.inp        2
# AMBER tests comparing energies w.r.t. AMBER.. differences of the order of 10^-6-10^-7 Hartree
# see the h2o2_amber.inp for comments
h2o2_amber.inp            2
gly_amber.inp                     2     3e-12
mol_amber.inp             2
#RESPA_TEST
acn_respa.inp             2
#BFGS optimizer with restraints
nh3-restraint-fixd-2.inp  7
#Restart fixed on different molecules..
nh3_wat-restraint-fixd-3.inp 7
nh3_wat-restraint-fixd-4.inp 7
#BFGS - Restart Hessian
nh3_bfgs.inp              7
nh3_bfgs_r.inp            7
#Growth constraints
ethene_colv1_growth.inp           2     7e-10
ethene_colv1_growth_lim.inp       2     8e-10
#combo restraint/constraint
H2O-restraint_2.inp       2
H2O-restraint_2r.inp              2     9e-12
#Multiple Walkers
nh3-meta-walks_1.inp      2
nh3-meta-walks_2.inp      2
nh3-meta-walks_1r.inp             2     4e-12
nh3-meta-walks_2r.inp             2     7e-10
#Combine_colvar
H2O-meta-combine.inp      2
