[gmx-users] pull code, lambda, and soft core availability

[chris.neale at utoronto.ca]

Thank you Matt, that is indeed the perfect paper. I'll post back here  
once I figure out exactly where the (1-lambda)^2 term would fit into  
the pull code US equation.

Chris.

This seems to be a good reference for soft-core interactions.

BEUTLER et al. AVOIDING SINGULARITIES AND NUMERICAL INSTABILITIES IN
FREE-ENERGY CALCULATIONS BASED ON MOLECULAR SIMULATIONS. Chem Phys
Lett (1994) vol. 222 pp. 529-539

On Thu, Feb 12, 2009 at 1:33 PM,  <chris.neale at utoronto.ca> wrote:
  Does anybody know of a good paper that
> describes the underlying equations that define soft core?
>
> Thanks,
> Chris.