H2O-32_ewald.inp                                       2    1.0E-14            -0.611543935804E+00
H2O-32_PME.inp                                         2    1.0E-14            -0.611544181350E+00
H2O-32_SPME.inp                                        2    1.0E-14            -0.611545021294E+00
H2O-32_SPME_avg2.inp                                  32    1.0E-14            -0.605273198468E+00
H2O-32_SPME_res_1.inp                                  2    1.0E-14            -0.600749554011E+00
H2O-32_SPME_res_2.inp                                  2      3e-12           -0.58993480332299997
H2O-32_SPME_res_3.inp                                  2    1.0E-14            -0.595881653299E+00
H2O-32_SPME_res_4.inp                                  2    1.0E-14            -0.608953026888E+00
H2O-32_NPT.inp                                         2    1.0E-14            -0.614523994245E+00
H2O-32_NPT_res_1.inp                                   2    1.0E-14            -0.597314905695E+00
H2O-32_NPT_res_2.inp                                   2    1.0E-14            -0.588376552563E+00
H2O-32_NPT_res_3.inp                                   2    1.0E-14            -0.601709162862E+00
H2O-32_NPT_res_4.inp                                   2    1.0E-14            -0.617383381810E+00
H2O-32_NPT_res_5.inp                                   2    1.0E-14            -0.614523994245E+00
water_IPBV.inp                                         2      1e-09            -7.7442661855899999
water_IPBV_flex.inp                                    2      9e-10                 -6.42809999235
sod.inp                                                2    1.0E-14             0.119421504330E+02
sod2.inp                                               2    1.0E-14             0.119421504330E+02
#Nose with constraints
H2O-32_SPME_fixed.inp                                  2    1.0E-14            -0.624623885392E+00
H2O-32_SPME_fixed_mol.inp                              2    1.0E-14            -0.629346529701E+00
nacl_wat.inp                                           2    1.0E-14            -0.911029622425E+01
#Stress Tensor automatic debug
H2O-ST_debug.inp                                      42      4e-03         1.9802000000000001e-06
#new colvars (position diagonal and cross term)
H2O-32_SPME_fixed_clv.inp                              2      5e-12        -8.0220274432699995E-05
H2O-32_SPME_fixed_cross_clv.inp                        2    1.0E-14            -0.452324222648E-02
# Core-shell atoms plus intra-molecular forces
H2O_cs_intra_debug.inp                                54    1.0E-14             0.0E+00
H2O_cs_intra_debug.inp                                82    1.0E-14             0.00000157
H2O_cs_intra_geo_opt.inp                              11    1.0E-14            -0.917699614533378
#EOF
