Project ID: plumID:25.006
Source: Input_Files/Reweighting-Example/LastBiasReweighting_8microsec/plumed_lastbias.dat
Originally used with PLUMED version: 2.8.2
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
RESTARTActivate restart. More details
The RESTART action with label calculates somethingINCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=plumed_read.dat
# INCLUDE FILE=plumed_read.dat
The INCLUDE action with label plumed_read.dat calculates somethingd_tbut_ph_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_tbut_ph_brd4
The READ action with label d_tbut_ph_brd4 calculates the following quantities: Quantity | Description |
d_tbut_ph_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_tbut_S_5ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_tbut_S_5ring_brd4
The READ action with label d_tbut_S_5ring_brd4 calculates the following quantities: Quantity | Description |
d_tbut_S_5ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_tbut_N_ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_tbut_N_ring_brd4
The READ action with label d_tbut_N_ring_brd4 calculates the following quantities: Quantity | Description |
d_tbut_N_ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_tbut_N_5ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_tbut_N_5ring_brd4
The READ action with label d_tbut_N_5ring_brd4 calculates the following quantities: Quantity | Description |
d_tbut_N_5ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_ph_brd4_linker: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_ph_brd4_linker
The READ action with label d_ph_brd4_linker calculates the following quantities: Quantity | Description |
d_ph_brd4_linker..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_ph_vhl_linker: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_ph_vhl_linker
The READ action with label d_ph_vhl_linker calculates the following quantities: Quantity | Description |
d_ph_vhl_linker..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_ph_brd4_ph_vhl: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_ph_brd4_ph_vhl
The READ action with label d_ph_brd4_ph_vhl calculates the following quantities: Quantity | Description |
d_ph_brd4_ph_vhl..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_ph_vhl_S_5ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_ph_vhl_S_5ring_brd4
The READ action with label d_ph_vhl_S_5ring_brd4 calculates the following quantities: Quantity | Description |
d_ph_vhl_S_5ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_ph_vhl_N_ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_ph_vhl_N_ring_brd4
The READ action with label d_ph_vhl_N_ring_brd4 calculates the following quantities: Quantity | Description |
d_ph_vhl_N_ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_ph_vhl_N_5ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_ph_vhl_N_5ring_brd4
The READ action with label d_ph_vhl_N_5ring_brd4 calculates the following quantities: Quantity | Description |
d_ph_vhl_N_5ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_s_vhl_ph_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_s_vhl_ph_brd4
The READ action with label d_s_vhl_ph_brd4 calculates the following quantities: Quantity | Description |
d_s_vhl_ph_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_s_S_5ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_s_S_5ring_brd4
The READ action with label d_s_S_5ring_brd4 calculates the following quantities: Quantity | Description |
d_s_S_5ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_s_N_ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_s_N_ring_brd4
The READ action with label d_s_N_ring_brd4 calculates the following quantities: Quantity | Description |
d_s_N_ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_s_N_5ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_s_N_5ring_brd4
The READ action with label d_s_N_5ring_brd4 calculates the following quantities: Quantity | Description |
d_s_N_5ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_n_vhl_ph_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_n_vhl_ph_brd4
The READ action with label d_n_vhl_ph_brd4 calculates the following quantities: Quantity | Description |
d_n_vhl_ph_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_n_vhl_S_5ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_n_vhl_S_5ring_brd4
The READ action with label d_n_vhl_S_5ring_brd4 calculates the following quantities: Quantity | Description |
d_n_vhl_S_5ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_n_vhl_N_ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_n_vhl_N_ring_brd4
The READ action with label d_n_vhl_N_ring_brd4 calculates the following quantities: Quantity | Description |
d_n_vhl_N_ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
d_n_vhl_N_5ring_brd4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_distances.data VALUESthe values to read from the file=d_n_vhl_N_5ring_brd4
The READ action with label d_n_vhl_N_5ring_brd4 calculates the following quantities: Quantity | Description |
d_n_vhl_N_5ring_brd4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
rgyr: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_main.data VALUESthe values to read from the file=rgyr
The READ action with label rgyr calculates the following quantities: Quantity | Description |
rgyr..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
cmap: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_main.data VALUESthe values to read from the file=cmap
The READ action with label cmap calculates the following quantities: Quantity | Description |
cmap..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
energy: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_main.data VALUESthe values to read from the file=energy
The READ action with label energy calculates the following quantities: Quantity | Description |
energy..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
volume: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_main.data VALUESthe values to read from the file=volume
The READ action with label volume calculates the following quantities: Quantity | Description |
volume..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_brd4_1: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_brd4_1
The READ action with label t_brd4_1 calculates the following quantities: Quantity | Description |
t_brd4_1..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_brd4_2: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_brd4_2
The READ action with label t_brd4_2 calculates the following quantities: Quantity | Description |
t_brd4_2..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_brd4_3: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_brd4_3
The READ action with label t_brd4_3 calculates the following quantities: Quantity | Description |
t_brd4_3..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_brd4_4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_brd4_4
The READ action with label t_brd4_4 calculates the following quantities: Quantity | Description |
t_brd4_4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_brd4_5: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_brd4_5
The READ action with label t_brd4_5 calculates the following quantities: Quantity | Description |
t_brd4_5..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_brd4_6: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_brd4_6
The READ action with label t_brd4_6 calculates the following quantities: Quantity | Description |
t_brd4_6..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_brd4_7: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_brd4_7
The READ action with label t_brd4_7 calculates the following quantities: Quantity | Description |
t_brd4_7..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_1: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_1
The READ action with label t_linker_1 calculates the following quantities: Quantity | Description |
t_linker_1..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_2: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_2
The READ action with label t_linker_2 calculates the following quantities: Quantity | Description |
t_linker_2..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_3: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_3
The READ action with label t_linker_3 calculates the following quantities: Quantity | Description |
t_linker_3..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_4
The READ action with label t_linker_4 calculates the following quantities: Quantity | Description |
t_linker_4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_5: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_5
The READ action with label t_linker_5 calculates the following quantities: Quantity | Description |
t_linker_5..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_6: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_6
The READ action with label t_linker_6 calculates the following quantities: Quantity | Description |
t_linker_6..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_7: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_7
The READ action with label t_linker_7 calculates the following quantities: Quantity | Description |
t_linker_7..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_8: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_8
The READ action with label t_linker_8 calculates the following quantities: Quantity | Description |
t_linker_8..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_linker_9: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_linker_9
The READ action with label t_linker_9 calculates the following quantities: Quantity | Description |
t_linker_9..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_1: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_1
The READ action with label t_vhl_1 calculates the following quantities: Quantity | Description |
t_vhl_1..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_2: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_2
The READ action with label t_vhl_2 calculates the following quantities: Quantity | Description |
t_vhl_2..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_3: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_3
The READ action with label t_vhl_3 calculates the following quantities: Quantity | Description |
t_vhl_3..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_4: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_4
The READ action with label t_vhl_4 calculates the following quantities: Quantity | Description |
t_vhl_4..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_5: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_5
The READ action with label t_vhl_5 calculates the following quantities: Quantity | Description |
t_vhl_5..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_6: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_6
The READ action with label t_vhl_6 calculates the following quantities: Quantity | Description |
t_vhl_6..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_7: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_7
The READ action with label t_vhl_7 calculates the following quantities: Quantity | Description |
t_vhl_7..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_8: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_8
The READ action with label t_vhl_8 calculates the following quantities: Quantity | Description |
t_vhl_8..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_9: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_9
The READ action with label t_vhl_9 calculates the following quantities: Quantity | Description |
t_vhl_9..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_10: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_10
The READ action with label t_vhl_10 calculates the following quantities: Quantity | Description |
t_vhl_10..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_11: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_11
The READ action with label t_vhl_11 calculates the following quantities: Quantity | Description |
t_vhl_11..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_12: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_12
The READ action with label t_vhl_12 calculates the following quantities: Quantity | Description |
t_vhl_12..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
t_vhl_13: READRead quantities from a colvar file. More details IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file FILEthe name of the file from which to read these quantities=../colvar_angles.data VALUESthe values to read from the file=t_vhl_13
# --- End of included input ---
The READ action with label t_vhl_13 calculates the following quantities: Quantity | Description |
t_vhl_13..#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
PBMETADUsed to performed Parallel Bias metadynamics. More details ...
LABELa label for the action so that its output can be referenced in the input to other actions=pbmetad
ARGthe labels of the scalars on which the bias will act=t_brd4_4,t_brd4_5,t_brd4_6,t_brd4_7,t_linker_1,t_linker_2,t_linker_3,t_linker_4,t_linker_5,t_linker_6,t_linker_7,t_linker_8,t_linker_9,t_vhl_1,t_vhl_2,t_vhl_3,t_vhl_4,t_vhl_5,t_vhl_6,t_vhl_7,t_vhl_8,t_vhl_9,t_vhl_10,t_vhl_11,t_vhl_12,t_vhl_13
PACEthe frequency for hill addition, one for all biases=500000000
BIASFACTORuse well tempered metadynamics with this bias factor, one for all biases=24
HEIGHTthe height of the Gaussian hills, one for all biases=0
SIGMAthe widths of the Gaussian hills=0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2
GRID_MINthe lower bounds for the grid=-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi
GRID_MAXthe upper bounds for the grid=pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi
TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300
... PBMETAD
The PBMETAD action with label pbmetad calculates the following quantities: Quantity | Description |
pbmetad.bias | the instantaneous value of the bias potential |
PRINTPrint quantities to a file. More details ...
ARGthe labels of the values that you would like to print to the file=rgyr,cmap,energy,volume,pbmetad.*
FILEthe name of the file on which to output these quantities=colvar_main.lastbias_8-microsec.data
STRIDE the frequency with which the quantities of interest should be output=500
...
PRINTPrint quantities to a file. More details ...
ARGthe labels of the values that you would like to print to the file=d_tbut_ph_brd4,d_tbut_S_5ring_brd4,d_tbut_N_ring_brd4,d_tbut_N_5ring_brd4,d_ph_brd4_linker,d_ph_vhl_linker,d_ph_brd4_ph_vhl,d_ph_vhl_S_5ring_brd4,d_ph_vhl_N_ring_brd4,d_ph_vhl_N_5ring_brd4,d_s_vhl_ph_brd4,d_s_S_5ring_brd4,d_s_N_ring_brd4,d_s_N_5ring_brd4,d_n_vhl_ph_brd4,d_n_vhl_S_5ring_brd4,d_n_vhl_N_ring_brd4,d_n_vhl_N_5ring_brd4,pbmetad.*
FILEthe name of the file on which to output these quantities=colvar_distances.lastbias_8-microsec.data
STRIDE the frequency with which the quantities of interest should be output=500
...
PRINTPrint quantities to a file. More details ...
ARGthe labels of the values that you would like to print to the file=t_brd4_1,t_brd4_2,t_brd4_3,t_brd4_4,t_brd4_5,t_brd4_6,t_brd4_7,t_linker_1,t_linker_2,t_linker_3,t_linker_4,t_linker_5,t_linker_6,t_linker_7,t_linker_8,t_linker_9,t_vhl_1,t_vhl_2,t_vhl_3,t_vhl_4,t_vhl_5,t_vhl_6,t_vhl_7,t_vhl_8,t_vhl_9,t_vhl_10,t_vhl_11,t_vhl_12,t_vhl_13,pbmetad.*
FILEthe name of the file on which to output these quantities=colvar_angles.lastbias_8-microsec.data
STRIDE the frequency with which the quantities of interest should be output=500
...