On Thu, Aug 28, 2014 at 11:59 PM, Siva Dasetty
wrote:
> Dear all,
>
> Can we use periodic boundary conditions in case of implicit solvent
> simulations?
Yes (but I only recommend doing so in GROMACS 4.5.x)
> If so, why?
>
In general, why not? It's a boundary condition. What's special about
i
Dear all,
Can we use periodic boundary conditions in case of implicit solvent
simulations? If so, why?
Also, can implicit solvent model in gromacs in any version (till 5.0) be
implemented in more than 2 processors or can it at least use GPU
acceleration provided by gromacs?
I have tried using pbc
