[gmx-users] Shift functions

Elisabeth katesedate at gmail.com
Fri Feb 10 14:52:32 CET 2012


Hello all,

Does the shift function use group based truncation? In the manual I see: by
using shifted forces there is no need for charge groups (=group based?!) in
the neighbor list?

Can anyone shed some light on calculation of shifted forces?

Thanks,
Eli
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