[gmx-users] Group vs Verlet cutoff scheme
SUKRITI002 at e.ntu.edu.sg
Wed Jan 11 11:23:44 CET 2017
I have a system containing few small ions in water and I was running it on Gromacs 4.5.6 version. However I have run all these simulations with PME electrostatics using group cutoff scheme, as that is only available in older version of Gromacs. Will I be getting different result if I run the same simulations with Verlet cutoff scheme in newer version of gromacs or is it okay to continue using group cutoff scheme in new version also?
Also, I have read that buffered pairlist is required if we are using group cutoff scheme. What exactly do we need to do for that?
Sukriti Gupta (Ms) | PhD Student | Energy Research Institute @ NTU (ERI at N) | Nanyang Technological University
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