Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

Re: define solvents in pcm model

Alex Granovsky


the correct input is:

 $pcm   rsolv=2.94 eps=8.93 $end

Alex Granovsky

On Wed Jul 14 '10 9:08pm, Ahmad Mashhadi wrote
>Hello dear reader,
>I’m going to run my job in pcm solvent model. We have example of the default solvent names is in the samples ($pcm    solvnt=water $end). But nothing for something likes this:
>$pcm   radius=2.94 dielec=8.93 $end
>Please guide me.

[ Previous ] [ Next ] [ Index ]           Fri Jul 16 '10 12:21pm
[ Reply ] [ Edit ] [ Delete ]           This message read 1239 times