[gmx-users] Cut off (1.2 -1.5 nm) with OPLS forcefield

[Pragati Sharma]

Hello all,

I am simulating a polymeric system using OPLS-AA forcefield.
I can see a considerable change in density while changing the cut off from
1.2 to 1.5 nm

cut off              Density                          Experimental density
1.2                    895 kg/m3                        910-920 kg/m3
1.5                    910 kg/m3


Should I change my cut off to 1.5 as it is giving me more accurate density,
OR I can't do it because OPLS-AA is parameterized with cut-off 1.0 nm.

Thanks