Author Topic: cosmo in tmole?  (Read 7098 times)

timomaria

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cosmo in tmole?
« on: June 26, 2007, 09:54:04 am »
How can I integrate solvation effects / cosmo in a tmole-script?
Or is this not possible?

jbaltrus

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Re: cosmo in tmole?
« Reply #1 on: June 06, 2009, 01:08:20 am »
%add_control_commands
$cosmo
epsilon=24.3
ADD END
%end