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corrections to changes form nostromo
[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
183a917
..
efc7d64
100644
(file)
--- a/
source/unres/src_MD-M/parmread.F
+++ b/
source/unres/src_MD-M/parmread.F
@@
-1005,8
+1005,6
@@
c Dtilde(2,2,i)=0.0d0
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
EEold(2,2,-i)=-b(10,i)+b(11,i)
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
@@
-1122,7
+1120,7
@@
C do j=1,ntyp
C epslip(i,j)=epslip(i,j)+0.05d0
C enddo
enddo
C epslip(i,j)=epslip(i,j)+0.05d0
C enddo
enddo
- write(iout,*) epslip(1,1),"OK?"
+c write(iout,*) epslip(1,1),"OK?"
C For the GB potential convert sigma'**2 into chi'
if (ipot.eq.4) then
do i=1,ntyp
C For the GB potential convert sigma'**2 into chi'
if (ipot.eq.4) then
do i=1,ntyp