cutoff

Discussions on how to set up simulations, typically starting from a pdb file.
Post Reply
sitiazma
Posts: 11
Joined: Tue Sep 15, 2009 12:29 pm

cutoff

Post by sitiazma » Tue Sep 22, 2009 2:54 pm

Hi

I want to study interaction between 2 helices. As an example, I want to put both helices of GpA with 10 A distance to each other. My objective here is to get the helices to come in contact. Do I need to edit any cutoff in the input file?

Thanks

martin
Developer
Posts: 38
Joined: Sun Jun 15, 2008 10:27 pm

Re: cutoff

Post by martin » Tue Sep 22, 2009 2:58 pm

You can set the cutoff to infinity by setting use_cutoff to zero.
Hope this helps,
Best wishes,
Martin

Post Reply