Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^3: Freezing all torsion angles
Denis Zavelev
denis.zavelev@gmail.com
>Thanks for your reply. But, is it possible to do using internal coordinates?
>NZVAR = M
>$ Zmat dlc = 1 auto = 1 ...
Please read the documentation for $ZMAT section. Unfortunately, I haven't got any experience of computations using DLC.
Thu Apr 8 '10 2:22pm
This message read 837 times