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

Click on the labels of the actions for more information on what each action computes
tested onv2.10
tested onmaster
##Reweighting

RESTARTActivate restart. More details

INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=plumed_read.dat

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


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
...