[gmx-users] You are applying a switch function to vdw forces or potentials from 0 to 1.2 nm
Poncho Arvayo Zatarain
poncho_8629 at hotmail.com
Thu Mar 17 17:46:05 CET 2016
Hello: i'm running the grompp of NVT but during the run i have the following:NOTE: You are applying a switch function to vdw forces or potentials from 0 to 1.2 nm, which is more than half the interaction ranges whereas switch functions are intended to act only close to the cut-offWhat does it means? it' ś anything wrong?My rlist, rcoulomb and rvdw are 1.2 (in nm), vdwtype: cut-off, vdwmodifier: force-switch, coulombtype: PME. Should i decrease rlist, rcoulomb and rvdw? increase my rlist to 1.4? or change my vdwtype to switch?
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