# molname constraints
water_3_dist_2.inp                                     2    1.0E-14            -0.146090953012E-03
water_3_dist_3.inp                                     2    1.0E-14             0.125671951245E-02
water32_hbonds_3.inp                                   2    1.0E-14            -0.153983716098E-01
water32_hbonds_4.inp                                   2    1.0E-14            -0.306067373566E-01
water_massive.inp                                      2      2e-09            -6.4367113013499999
# applying constraint to the 0 step of MD
water_3_dist_startC.inp                                2    7.0E-12            -0.145189973904E-03
# just keep echo_input alive
acn-3.inp                                              0
# Restart of restraints
H2O-fixd-rest.inp                                      2    1.0E-14             0.270339895452E-02
H2O-fixd-rest-2.inp                                    2    1.0E-14             0.113616767819E-02
H2O-restraint_1.inp                                    2    1.0E-14             0.302410439733E-02
H2O-restraint_2.inp                                    2    1.0E-14             0.549027732099E-02
# Constrained FIXED_ATOMS + other kinds of constraints
ethene_colv3.inp                                       2      8e-10          0.0044422066059699996
nh3_4x6_fixd.inp                                       2    1.0E-14            -0.614486476805E+00
water_3_g3x3_fxd.inp                                   2    1.0E-14            -0.151680542408E-03
#bug fix for nonbonded14
test_pair.inp                                         11    1.0E-14             -0.138093943980071
test_ub1.inp                                          11    1.0E-14              3.217393655177664
test_ub2.inp                                          11    1.0E-14              2.580760859555949
mfi.inp                                                2    1.0E-14             0.433855168086E+00
# Intermolecular constraints
water_3_dist_inter.inp                                 2      6e-12             0.313590831335E-02
water_3_dist_inter2.inp                                2      1e-11        -0.00015041643107799999
water_3_dist_mix.inp                                   2    1.0E-14             0.237036295788E-02
# Intermolecular restraints
H2O-constr_1_ext.inp                                   2      1e-11            -0.215250233163E-04
H2O-restraint_1_ext.inp                                2    1.0E-14             0.302410439733E-02
nh3_4x6_ext.inp                                        2    1.0E-14            -0.448911308961E+00
nh3_r4x6_ext.inp                                       2    1.0E-14            -0.448319509376E+00
water_3_g3x3_ext.inp                                   2    1.0E-14             0.385661810330E-02
water_3_rg3x3_ext.inp                                  2    1.0E-14             0.113447756830E-02
# more mixing
H2OFe-5_75-3.inp                                       2    1.0E-14            -0.468442186412E+01
H2OFe-5_75-4.inp                                       2    1.0E-14            -0.463709905128E+01
#general mixing
H2OFe-5_75-5.inp                                       2    1.0E-14            -0.463709905128E+01
#restart mix_env
H2OFe-5_75-6.inp                                       2    1.0E-14            -0.484120270229E+01
#general mapping
H2OFe-5_75-7.inp                                       2    1.0E-14            -0.506501402353E+01
#target two different molecule name (same nature)
water_3_dist_2_restr.inp                               2      3e-12             0.705966204146E-03
# check charges of Ti in the dumped topology
interface.inp                                          2    1.0E-14            -0.582242994901E+00
# silent in parallel
interface-2.inp                                        0
# geo_opt with save_mem.. bug fix
mfi_geo.inp                                            7    1.0E-14                   0.1229559807
mfi_geo2.inp                                           7    1.0E-14                   0.0119785072
mfi_geo3.inp                                           7    1.0E-14                   0.0000039863
# fixed atoms with only partial components
nh3_fixd_x.inp                                         2    1.0E-14            -0.551955955308E+00
nh3_fixd_xy.inp                                        2    1.0E-14            -0.558215902527E+00
nh3_fixd_y.inp                                         2    1.0E-14            -0.546765909699E+00
nh3_fixd_z.inp                                         2    1.0E-14            -0.558873806830E+00
#Cell opt
argon_opt_cell.inp                                     7      2e-04                  -0.1961397953
argon_opt_cell_ks.inp                                  7      8e-05           -0.19517552769999999
argon_opt_cell_md.inp                                  7    1.0E-14                   0.1617110873
Si_tersoff.inp                                         7    1.0E-14                  -4.9278652447
#initial orthorombic cells under npt_f dynamics
nptf_ortho.inp                                         2      4e-09                 -1.68009364663
nptf_ortho_screen.inp                                  2      8e-09                 -1.68087079556
# morse and cubic bonded potentials
bonded-1.inp                                           2    1.0E-14             0.163326996014E-02
bonded-2.inp                                           2    1.0E-14            -0.321706670827E+00
# Angular legende potential
ch4legendre.inp                                       11    1.0E-14              0.000337730329915
# mixed stretch-bend form
bonded-3.inp                                           2    1.0E-14             0.168535489010E-02
#EOF
