TURBOMOLE Users Forum

Installation and usage of TURBOMOLE => TMOLE Script => Topic started by: timomaria on June 26, 2007, 09:54:04 AM

Title: cosmo in tmole?
Post by: timomaria on June 26, 2007, 09:54:04 AM

How can I integrate solvation effects / cosmo in a tmole-script?
Or is this not possible?

Title: Re: cosmo in tmole?
Post by: jbaltrus on June 06, 2009, 01:08:20 AM

%add_control_commands
$cosmo
epsilon=24.3
ADD END
%end