[gmx-users] Force-switch algorithm

[Pallavi Banerjee]

Hi Mark,

Thank you for your reply.

I want to implement this wacky idea because a part of the potential of the
system needs to be input in a tabulated form (referring to Iterative
Boltzmann Inversion) and the other part (solvent-solvent) interaction is
defined by sigma and epsilon, which I again input in the form of a table
since GROMACS does not  support both tabulated and non-tabulated at the
same time.

So, then, am I right to understand that eqn 4.28 of manual-5.1 is the
functional form of potential of the force-switch method, and that there is
no documentation provided for potential-switch?

Many thanks!

-Pallavi Banerjee