1
Download here
Transcript
120 Collective variables Quantity vmean Keyword VMEAN between BETWEEN lessthan LESS_THAN mean MEAN min MIN moment MOMENTS morethan MORE_THAN Description the norm of the mean vector. The output component can be refererred to elsewhere in the input file by using the label.vmean the number/fraction of values within a certain range. This is calculated using one of the formula described in the description of the keyword so as to make it continuous. You can calculate this quantity multiple times using different parameters. the number of values less than a target value. This is calculated using one of the formula described in the description of the keyword so as to make it continuous. You can calculate this quantity multiple times using different parameters. the mean value. The output component can be refererred to elsewhere in the input file by using the label.mean the minimum value. This is calculated using the formula described in the description of the keyword so as to make it continuous. the central moments of the distribution of values. The second moment would be referenced elsewhere in the input file using label.moment-2, the third as label.moment-3, etc. the number of values more than a target value. This is calculated using one of the formula described in the description of the keyword so as to make it continuous. You can calculate this quantity multiple times using different parameters. The atoms involved can be specified using SPECIES this keyword is used for colvars such as coordination number. In that context it specifies that plumed should calculate one coordination number for each of the atoms specified. Each of these coordination numbers specifies how many of the other specified atoms are within a certain cutoff of the central atom. Or alternatively by using Generated on Fri Dec 4 2015 08:28:46 for PLUMED by Doxygen
