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integr8all.
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integr8all.
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#!/bin/bash -l
#=======================================================
# integr8all. ### calcute all the electric fields ###
# ### ###
# parameters
# $1 Moiety to process
# options: <null> - all
# 4A,4H,4N,4P,4W,4S,4C,4R,4T,4L,4Y
# $2 number of bins in the z direction
# options: 2-?
#_______________________________________________________
ARG2=${2:-'50'}
case ${1} in
4A)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}A.xvg fylr${ARG2:0:1}A.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4H)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}H.xvg fylr${ARG2:0:1}H.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4N)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}N.xvg fylr${ARG2:0:1}N.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4P)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}P.xvg fylr${ARG2:0:1}P.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4W)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}W.xvg fylr${ARG2:0:1}W.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4S)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}S.xvg fylr${ARG2:0:1}S.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4C)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}C.xvg fylr${ARG2:0:1}C.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4R)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}R.xvg fylr${ARG2:0:1}R.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4T)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}T.xvg fylr${ARG2:0:1}T.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4L)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}L.xvg fylr${ARG2:0:1}L.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
4A)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}Y.xvg fylr${ARG2:0:1}Y.xvg
s ../jobs/spltfld. ${ARG2:0:1} ${ARG1:0:1}
;;
*)
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}A.xvg fylr${ARG2:0:1}A.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}H.xvg fylr${ARG2:0:1}H.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}N.xvg fylr${ARG2:0:1}N.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}P.xvg fylr${ARG2:0:1}P.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}W.xvg fylr${ARG2:0:1}W.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}S.xvg fylr${ARG2:0:1}S.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}C.xvg fylr${ARG2:0:1}C.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}R.xvg fylr${ARG2:0:1}R.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}T.xvg fylr${ARG2:0:1}T.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}L.xvg fylr${ARG2:0:1}L.xvg
s ../jobs/Bfintegr8.awk ${ARG2} chrg${ARG2:0:1}Y.xvg fylr${ARG2:0:1}Y.xvg
for s in A H N P W S C R T L Y; do
s ../jobs/spltfld. ${ARG2:0:1} ${s}
done
;;
esac