multivector

Calculate multiple vectors between specified atoms.

multivector [<name>] [resrange <range>] name1 <name1> name2 <name2> [out <filename>] [ired]

[<name>] Data set name.
[resrange <range>] Range of residues to look for vectors in.
name1 <name1> Name of first atom in each residue.
name2 <name2> Name of second atom in each residue.
[out <filename>] File to write results to.

Search for and calculate atomic vectors between atoms named <name1> and <name2> in residues specified by the given <range>; each one is equivalent to the command ’vector <name1> <name2>’.

For example, to calculate all vectors between atoms named ’N’ and atoms named ’H’ in residues 5-20, storing the results in data sets named NH and writing to NH.dat:

multivector NH name1 N name2 H ired out NH.dat resrange 5-20