diagnose_differential_stress¶
After assembling a stress-free asymmetric membrane, run a short tensionless pressure-profile pass and report the residual per-leaflet surface tensions, their difference (the differential stress), and the leaflet-count adjustment that would null it. Diagnostic only; the membrane is not rebuilt. Requires a CPU (non-CUDA) NAMD build.
Single-valued attributes:
enabled: turn on the differential-stress diagnostic for asymmetric builds (default: False)
nsteps: number of MD steps in the tensionless pressure-profile pass (default: 100000)
slabs: number of z-slabs for the pressure profile (pressureProfileSlabs) (default: 40)
freq: steps between pressure-profile samples (pressureProfileFreq) (default: 500)
area_modulus: assumed per-leaflet area-compressibility modulus K_A (mN/m), used to convert the residual differential stress into a suggested leaflet-count change (default: 250.0)