#!/bin/csh                  

echo ' ' 
echo ' gln '
echo 'run with dipolar bc. scale = 1'
echo 'scale=1.0' >> fort.10
echo 'gsize=80' >> fort.10
cp gln.pdb fort.15
echo 'Center(unit=15)' >> fort.10
echo 'bndcon=2' >> fort.10
echo 'linit=1200' >> fort.10
echo 'in(siz,file="gln.siz")' >> fort.10
echo 'in(crg,file="gln.crg")' >> fort.10
echo 'indi=1.0' >> fort.10
echo 'exdi=80.0' >> fort.10
echo 'prbrad=1.4' >> fort.10
echo 'ionrad=1.824' >> fort.10
#echo 'gc=0.02' >> fort.10
echo 'rmsc=0.000001' >> fort.10
echo 'out(phi,unit=14)' >> fort.10
echo 'energy(s,c,g)' >> fort.10
echo 'in(pdb,file="gln.pdb")' >> fort.10
delphi > gln_newgsize_scl1.log

echo 'run with dipolar bc.  scale = 4.0'
echo 'scale=4.0' >> fort.10
echo 'gsize=80' >> fort.10
cp gln.pdb fort.15
echo 'Center(unit=15)' >> fort.10
echo 'bndcon=2' >> fort.10
echo 'linit=1200' >> fort.10
echo 'in(siz,file="gln.siz")' >> fort.10
echo 'in(crg,file="gln.crg")' >> fort.10
echo 'indi=1.0' >> fort.10
echo 'exdi=80.0' >> fort.10
echo 'prbrad=1.4' >> fort.10
echo 'ionrad=1.824' >> fort.10
#echo 'gc=0.01' >> fort.10
echo 'rmsc=0.000001' >> fort.10
echo 'out(phi,unit=14)' >> fort.10
echo 'energy(s,c,g)' >> fort.10
echo 'in(pdb,file="gln.pdb")' >> fort.10
delphi > gln_newgsize_scl4.log

