NAMD Wiki: BoyanBonev
We see systematic protein drift across periodic cell boundaries in NAMD on a scalar Tier 2 system but not on a multicore multi GPGPU system. Does anyone have any insights into this?
We see systematic protein drift across periodic cell boundaries in NAMD on a scalar Tier 2 system but not on a multicore multi GPGPU system. Does anyone have any insights into this?
