esp restrain

Click here for full thread

Forum Vet

9:31:35 AM PDT - Mon, Oct 8th 2012
The options in constrains (just above restraints in the documentation) should be able to allow you to do what you want I believe. Bert Quote:P99 Oct 8th 11:53 am Whether it is possible by using the keyword «restrain» of «esp» group indicate that I want to draw the partial charges not to zero, but to other values I specified?