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MREMD different default temperatures for new ff
[django_unres.git]
/
files
/
cluster2allatom.sh
diff --git
a/files/cluster2allatom.sh
b/files/cluster2allatom.sh
index
639ac2a
..
6e79e4d
100755
(executable)
--- a/
files/cluster2allatom.sh
+++ b/
files/cluster2allatom.sh
@@
-12,7
+12,7
@@
headval=`echo $i "*" $onestruc|bc -l`
head -n $headval tmp.pdb | tail -n $onestruc >act.pdb
rm -f act_file*
head -n $headval tmp.pdb | tail -n $onestruc >act.pdb
rm -f act_file*
-cat act.pdb | tr '\n' '\r' | sed -e 's/TER\rTER/TERTER/' | tr '\r' '\n' \
+cat act.pdb | tr '\n' '\r' | sed -e 's/TER\rTER/TERTER/g' | tr '\r' '\n' \
| awk 'BEGIN{f=1}/TERTER/{close("act_file"f);f++}{ if ($0!="TERTER") print $0 > "act_file"f}'
for f in act_file*
| awk 'BEGIN{f=1}/TERTER/{close("act_file"f);f++}{ if ($0!="TERTER") print $0 > "act_file"f}'
for f in act_file*