Project ID: plumID:22.027
Source: V391I/V391I.3/3-ANALYSIS/plumed_driver.dat
Originally used with PLUMED version: 2.7
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# various backbone RMSD # ACE rmsd-ace:RMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=../../1-EQUIL/PDBs/rmsd-ACE.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMALthe manner in which RMSD alignment is performedNOPBC# RBD rmsd-rbd:ignore the periodic boundary conditions when calculating distancesRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=../../1-EQUIL/PDBs/rmsd-RBD.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMALthe manner in which RMSD alignment is performedNOPBC# INTERFACIAL rmsd rmsd-inter:ignore the periodic boundary conditions when calculating distancesRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=../../1-EQUIL/PDBs/rmsd-INTER.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMALthe manner in which RMSD alignment is performedNOPBC# COMPLEX rmsd rmsd-all:ignore the periodic boundary conditions when calculating distancesRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=../../1-EQUIL/PDBs/rmsd-ALL.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMALthe manner in which RMSD alignment is performedNOPBCignore the periodic boundary conditions when calculating distances
# print stuffPrint quantities to a file. More detailsARG=rmsd-ace,rmsd-rbd,rmsd-inter,rmsd-allthe input for this action is the scalar output from one or more other actionsFILE=COLVAR_RMSDthe name of the file on which to output these quantitiesSTRIDE=1the frequency with which the quantities of interest should be output