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Functions | |
int | qcp_soa_gpu_ooc (wkf_threadpool_t *devpool, int nfiles, const char **trjfileset, const AtomSel *sel, int first, int last, int step, float *rmsdmat) |
Compute RMSD values for unaligned structures without actually performing the alginment. This is particularly useful for computing large dissimilarity matrices required for trajectory clustering analysis.
Definition in file CUDAMeasureQCP.h.
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Definition at line 1050 of file CUDAMeasureQCP.cu. Referenced by measure_rmsdmat_qcp_ooc. |