Project ID: plumID:21.021
Source: meta_inputs/tetrapept_6D/plumed_biased.dat
Originally used with PLUMED version: 2.7-mod
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# t1:TORSIONCalculate a torsional angle. More detailsATOMS=5,7,9,15 t2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=7,9,15,17 t3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=15,17,19,25 t4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=17,19,25,27 t5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=25,27,29,35 t6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=27,29,35,37the four atoms involved in the torsional angle
mt:METAD...Used to performed metadynamics on one or more collective variables. More detailsPACE=500the frequency for hill additionARG=t1,t2,t3,t4,t5,t6the input for this action is the scalar output from one or more other actionsSIGMA=0.2,0.2,0.2,0.2,0.2,0.2the widths of the Gaussian hillsBIASFACTOR=10use well tempered metadynamics and use this bias factorHEIGHT=2.0the heights of the Gaussian hillsTEMP=300 ...the system temperature - this is only needed if you are doing well-tempered metadynamicsPrint quantities to a file. More detailsARG=t1,t2,t3,t4,t5,t6the input for this action is the scalar output from one or more other actionsFILE=colvarthe name of the file on which to output these quantitiesSTRIDE=500the frequency with which the quantities of interest should be outputPrint quantities to a file. More detailsARG=mt.biasthe input for this action is the scalar output from one or more other actionsFILE=mt.gbiasthe name of the file on which to output these quantitiesSTRIDE=500the frequency with which the quantities of interest should be output