Dear users, Is it possible just to iterate the bonded part (IBI, 1.3-dev). As I see that the convergence check might not work as :
the xml options for postadd_acc_convergence.sh are cg.non-bonded.name and for postadd_convergence.sh are cg.inverse.method cg.non-bonded.inverse.post_add_options.convergence.base cg.non-bonded.inverse.post_add_options.convergence.norm cg.non-bonded.inverse.post_add_options.convergence.weight cg.non-bonded.inverse.post_add_options.convergence.what cg.non-bonded.inverse.target cg.non-bonded.max cg.non-bonded.min cg.non-bonded.name cg.non-bonded.step Any light on this would be very helpful. Chndan -- Chandan kumar Choudhury NCL, Pune INDIA -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/groups/opt_out.
