Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

Re: some suggestions for new version of Firefly

Pedro Silva

Other suggestions:

Set reuse=.t. as default in surface scans using dlc=.t. auto=.t.

Including automatic detection of molecular fragments (and automatic generation of a few nonvdw() bonds between them) in auto=.t. dlc=.t. would greatly imporve the usability for novice users.


[ Previous ] [ Next ] [ Index ]           Wed Apr 13 '11 4:18pm
[ Reply ] [ Edit ] [ Delete ]           This message read 743 times