[gmx-users] Group vs Verlet cutoff scheme

[#SUKRITI GUPTA#]

Hi all,


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?


Regards


Sukriti
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Sukriti Gupta (Ms) | PhD Student | Energy Research Institute @ NTU (ERI at N) | Nanyang Technological University
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