GROMACS output for umbrella sampling simulations of Na+ ion binding to

a POPC bilayer, COM-distance = reaction coordinate. .xvg files for 35
windows

umbrella_integration/test_data/na_ion_lipid_membrane/prepare_pullx_files.sh

+#!/bin/bash
+
+# File: prepare_pullx_files.sh 
+# Author: Evelyne Deplazes
+# Date: June 3, 2016
+ 
+
+#loop through folders and call tcl script com_distance_popc_ion.tcl 
+for i in *fc500*; do
+    
+    path="/Users/e.deplazes/Desktop/MD/smallMolecules_lipids/NaCl_ion_popc/NA/${i}/"
+       echo $path
+    cd $path
+    #echo $i
+    window=`echo "$i" | cut -d'_' -f1  `
+    echo $window
+    outfile="Nafc500_pmf_pullx_${window}_displacment_reduced.dat"
+    infile="pmf_pullx_${window}_1.xvg"
+    if [ -e $infile ] 
+    then
+        `awk 'NR >20  {print $1 " " $3 }' $infile  | awk 'NR%10==0 {print $0 }' > $outfile`
+    fi
+done
+
+
+
+
+
+