compute_pressure_profile¶
enable NAMD’s on-the-fly pressure profile calculation during bilayer relaxation NPT/NPAT stages; not supported on CUDA-enabled (GPU) NAMD
Single-valued attributes:
enabled: turn on pressureProfile during NPT/NPAT relaxation stages (default: False)
slabs: number of slabs along z (pressureProfileSlabs) (default: 30)
freq: frequency of pressure profile output, in time steps (pressureProfileFreq) (default: 100)