Firefly and PC GAMESS-related discussion club



Learn how to ask questions correctly


Re^2: Freezing all torsion angles

Khimich
khimich@kinet.chem.msu.ru


>First of all, you need to use z-matrix

Thanks for your reply. But, is it possible to do using internal coordinates?
NZVAR = M
$ Zmat dlc = 1 auto = 1 ...


[ Previous ] [ Next ] [ Index ]           Thu Apr 8 '10 8:22am
[ Reply ] [ Edit ] [ Delete ]           This message read 897 times