[gmx-users] Fwd: Rycaert-Bellemans function

[Justin Lemkul]

On 5/13/13 6:24 PM, Marcelo Vanean wrote:
> Hello to all. I am simulating long-chain alcohols. For the dihedrals, I
> used Rycaert-Bellemans function. In this case I should delete the pairs
> from topology?
>

That depends on which force field you are using.  See manual section 4.2.12.

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================