[gmx-users] correct rlist and Verlet scheme

Timofey Tyugashev tyugashev at niboch.nsc.ru
Fri Feb 12 13:45:56 CET 2016

I have trouble in correctly setting cut-offs with Verlet scheme to match 
force-field specific settings.
It automatically adjusts cut-off and it looks like they change their 
values from ones recommended for the force field.
Is there a way to correct it and set up them properly?

The paper on FF lists 1.0 nm for short-range electrostatic and LJ 
The cut-off of pairlists is 1.05 nm.

The forcefield is 99SB-ILDN and is present in GROMACS itself.

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