PC GAMESS-related discussion club


Re: DLC and nonvdw

Alex Granovsky
gran@classic.chem.msu.su


Hello,

unfortunately, this feature is not implemented at present.
You need to use nonvdw array to explicitly specify these atoms.


Best regards,
Alex Granovsky


On Sun Apr 15 '07, Richard wrote
--------------------------------
>Is it possible to alter some tolerance parameter so that atoms just outside normal bonding distance get automatically picked up by auto DLC? (DLCTOL doesn't seem to help here).

>Thanks

>Richard


[ Previous ] [ Next ] [ Index ]           Tue Apr 17 '07
[ Reply ] [ Edit ] [ Delete ]           This message read 3983 times