Posted by claudiu on June 12, 2013 at 11:08:24:
I am trying to run a MEP including solvent effects. However, when MCLR is called I get a message like "mclr does not converge for pertirbation nr 1, increse nr. it.". I do it manually and set the nr. it. to even 1000 and still no convergence. Is there another keyword for mclr in this case? or just simply doesn't work with PCM?
Thanks,
Claudiu.