VMD-L Mailing List

From: Soumya Lipsa Rath (soumyalipsabt_at_gmail.com)
Date: Wed Mar 02 2016 - 20:36:04 CST

Dear Vmd Users,

During bond optimization, under the results section we get Current Final
Obj. value and Previous Final Obj. value. What is the satisfactory Obj.
Value (values) after which one can use the refined bond/angle parameters.
Should it also converge like the COLP or should it be zero?. Although it
has been enquired earlier in vmd mail list, I failed to find a definite
answer. Kindly provide me some insights for the same.

Thanks,
Soumya