Searched refs:rmsmin (Results 1 – 3 of 3) sorted by relevance
999 real rmsmin, in analyze_clusters()1036 if (rmsmin > 0.0) in analyze_clusters()1038 sprintf(buf1, "structures with rmsd > %g", rmsmin); in analyze_clusters()1257 if (rmsmin > 0.0) in analyze_clusters()1263 bWrite[i] = rmsd[structure[i1]][structure[i]] > rmsmin; in analyze_clusters()1471 static real scalemax = -1.0, rmsdcut = 0.1, rmsmin = 0.0; in gmx_cluster() local1512 { &rmsmin }, in gmx_cluster()1868 if (bAnalyze && (rmsmin < rms->minrms)) in gmx_cluster()1872 if (bAnalyze && (rmsmin > rmsdcut)) in gmx_cluster()1874 fprintf(stderr, "WARNING: rmsd minimum %g is above rmsd cutoff %g\n", rmsmin, rmsdcut); in gmx_cluster()[all …]
6586 static real rmsmin; in crdaccs_() local6833 rmsmin = 1e5f; in crdaccs_()6906 if (rmsshift < rmsmin) { in crdaccs_()6913 rmsmin = rmsshift; in crdaccs_()
4145 rmsmin = 100000.4204 if (rmsshift .lt. rmsmin) then4210 rmsmin = rmsshift