Merge pull request #93 from BranniganLab/92-leaflet-sorting-fails-whe…

…n-lipids-split-across-pb 92 leaflet sorter 3 fails when lipids split across pb
BranniganLab · Nov 14, 2024 · 8a9d456 · 8a9d456
2 parents 04c271e + ed87df6
commit 8a9d456
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/TCL/polarDensity_for_DTA.tcl b/TCL/polarDensity_for_DTA.tcl
@@ -287,7 +287,7 @@ proc leaflet_sorter_3 {atsel_in frame_i} {
     set lipid_y [lindex $lipid_com 1]
     set lipid_z [lindex $lipid_com 2]
 
-    set local_surfaces [atomselect top "name PO4 GL1 GL2 AM1 AM2 and (x-$lipid_x)*(x-$lipid_x)+(y-$lipid_y)*(y-$lipid_y)<200" frame $frame_i]
+    set local_surfaces [atomselect top "name PO4 GL1 GL2 AM1 AM2 and pbwithin 200 of $atsel_in" frame $frame_i]
     set local_midplane [lindex [measure center $local_surfaces weight mass] 2]
     $local_surfaces delete