Hi, NOTE 4 [file /fs/home/sm868/llamapooja/ffsb/Setup/nvt.mdp]: The sum of the two largest charge group radii (0.510406) is larger than rlist (2.000000) - rvdw (2.000000)
NOTE 5 [file /fs/home/sm868/llamapooja/ffsb/Setup/nvt.mdp]: The sum of the two largest charge group radii (0.510406) is larger than rlist (2.000000) - rcoulomb (1.800000) How does this effect the simulation? Do these introduce errors? Pooja -- Quaerendo Invenietis-Seek and you shall discover.
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