Re: [gmx-users] Literature reading on DispCorr for energy and pressure

Hi, This paper comes to mind: Accurate and Efficient Corrections for Missing Dispersion Interactions in Molecular Simulations Shirts, Mobley, Chodera and Pande J. Phys. Chem. B 2007, 111, 13052-13063 Cheers Tom Andrew DeYoung wrote: Hi, Only if you have time, can you please recommend lite

[gmx-users] Literature reading on DispCorr for energy and pressure

Hi, Only if you have time, can you please recommend literature reading on how long-range dispersion corrections are computed? I have been using DispCorr = EnerPres for my simulations, which are in the NPT ensemble. When I search through this user's list, I find frequent mention of the fact that