YARM Script Headers
YarmModel Hash Variables:
%YarmModel = (
"xyz_pdb" => \%xyz_pdb,
"xyz_nmr" => \%xyz_nmr,
"C_isotope" => 13,
"H_isotope" => 1,
"N_isotope" => 15,
"O_isotope" => 16,
"P_isotope" => 31,
"S_isotope" => 32,
"txx" => 5,
"tyy" => 5,
"tzz" => 5,
"solvent" => "D20",
"dynamics_model" => "Lipari-Szabo",
"dynamics_model" => "rigid",
"S" => \%S,
"ti" => \%ti,
);
Jon Lapham
Yale University
Department of Chemistry - Crothers Lab