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chyba dzialajacy lipid
[unres.git]
/
source
/
unres
/
src_MD-M
/
parmread.F
diff --git
a/source/unres/src_MD-M/parmread.F
b/source/unres/src_MD-M/parmread.F
index
9ba2044
..
5d45e14
100644
(file)
--- a/
source/unres/src_MD-M/parmread.F
+++ b/
source/unres/src_MD-M/parmread.F
@@
-1006,6
+1006,7
@@
c Dtilde(2,2,i)=0.0d0
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
write(iout,*) "TU DOCHODZE"
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
write(iout,*) "TU DOCHODZE"
+ print *,"JESTEM"
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
@@
-1118,7
+1119,7
@@
C now we start reading lipid
read (isidep,*,end=1161,err=1161)(epslip(i,j),j=i,ntyp)
print *,"WARNING!!"
do j=1,ntyp
read (isidep,*,end=1161,err=1161)(epslip(i,j),j=i,ntyp)
print *,"WARNING!!"
do j=1,ntyp
- epslip(i,j)=epslip(i,j)+0.5d0
+ epslip(i,j)=epslip(i,j)+0.05d0
enddo
enddo
C For the GB potential convert sigma'**2 into chi'
enddo
enddo
C For the GB potential convert sigma'**2 into chi'