Project ID: plumID:21.015
Source: MetaD/CBM73/post_processing/coordination-groups.dat
Originally used with PLUMED version: 2.5
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
RESTARTActivate restart. More detailsWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=721-882the atoms that make up a molecule that you wish to align
C1:COORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=721-722Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C2:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=723-723Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C3:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=724-725Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C4:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=726-727Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C5:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=728-729Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C6:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=730-731Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C7:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=732-733Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C8:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=734-735Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C9:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=736-740Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C10:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=741-742Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C11:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=743-744Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C12:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=745-745Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C13:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=746-747Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C14:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=748-749Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C15:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=750-754Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C16:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=755-755Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C17:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=756-757Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C18:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=758-759Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C19:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=760-760Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C20:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=761-762Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C21:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=763-764Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C22:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=765-766Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C23:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=767-768Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C24:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=769-770Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C25:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=771-771Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C26:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=772-773Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C27:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=774-775Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C28:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=776-780Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C29:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=781-783Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C30:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=784-785Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C31:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=786-787Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C32:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=788-789Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C33:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=790-790Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C34:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=791-791Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C35:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=792-797Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C36:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=798-799Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C37:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=800-801Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C38:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=802-803Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C39:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=804-804Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C40:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=805-805Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C41:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=806-807Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C42:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=808-812Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C43:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=813-813Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C44:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=814-815Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C45:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=816-816Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C46:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=817-818Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C47:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=819-819Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C48:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=820-825Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C49:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=826-826Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C50:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=827-832Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C51:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=833-833Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C52:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=834-835Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C53:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=836-836Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C54:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=837-842Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C55:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=843-844Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C56:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=845-846Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C57:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=847-848Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C58:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=849-851Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C59:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=852-853Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C60:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=854-855Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C61:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=856-857Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C62:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=858-858Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C63:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=859-862Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C64:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=863-866Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C65:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=867-870Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C66:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=871-874Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C67:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=875-878Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3 C68:The r_0 parameter of the switching functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1-720First list of atomsGROUPB=879-882Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=0.3The r_0 parameter of the switching functionPrint quantities to a file. More detailsARGthe input for this action is the scalar output from one or more other actionsSTRIDE=1the frequency with which the quantities of interest should be outputFILE=COORDINATIONthe name of the file on which to output these quantitiesRESTART=NOallows per-action setting of restart (YES/NO/AUTO)