X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fparmread.F;fp=source%2Funres%2Fsrc_MD-M%2Fparmread.F;h=03efdb25b6b800a3004beac6efb4de7a2c01fee9;hb=39aaaf5f5ec4de449f18993aacdec4b43cabb1b0;hp=9db9b60c9676230fbaa4d69d33124c16483e3019;hpb=2a20f5fb020ec764c5e3cd775cf7467fa75d22cc;p=unres.git

diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F
index 9db9b60..03efdb2 100644
--- a/source/unres/src_MD-M/parmread.F
+++ b/source/unres/src_MD-M/parmread.F
@@ -991,21 +991,22 @@ c        Dtilde(1,1,i)=0.0d0
 c        Dtilde(1,2,i)=0.0d0
 c        Dtilde(2,1,i)=0.0d0
 c        Dtilde(2,2,i)=0.0d0
-        EE(1,1,i)= b(10)+b(11)
-        EE(2,2,i)=-b(10)+b(11)
-        EE(2,1,i)= b(12)-b(13)
-        EE(1,2,i)= b(12)+b(13)
-        EE(1,1,-i)= b(10)+b(11)
-        EE(2,2,-i)=-b(10)+b(11)
-        EE(2,1,-i)=-b(12)+b(13)
-        EE(1,2,-i)=-b(12)-b(13)
-
+        EEold(1,1,i)= b(10)+b(11)
+        EEold(2,2,i)=-b(10)+b(11)
+        EEold(2,1,i)= b(12)-b(13)
+        EEold(1,2,i)= b(12)+b(13)
+        EEold(1,1,-i)= b(10)+b(11)
+        EEold(2,2,-i)=-b(10)+b(11)
+        EEold(2,1,-i)=-b(12)+b(13)
+        EEold(1,2,-i)=-b(12)-b(13)
+        write(iout,*) "TU DOCHODZE"
 c        ee(1,1,i)=1.0d0
 c        ee(2,2,i)=1.0d0
 c        ee(2,1,i)=0.0d0
 c        ee(1,2,i)=0.0d0
 c        ee(2,1,i)=ee(1,2,i)
       enddo
+c      lprint=.true.
       if (lprint) then
       do i=1,nloctyp
         write (iout,*) 'Type',i
@@ -1023,10 +1024,11 @@ c        ee(2,1,i)=ee(1,2,i)
         enddo
         write(iout,*) 'EE'
         do j=1,2
-          write (iout,'(2f10.5)') EE(j,1,i),EE(j,2,i)
+          write (iout,'(2f10.5)') EEold(j,1,i),EEold(j,2,i)
         enddo
       enddo
       endif
+c      lprint=.false.
 
 C 
 C Read electrostatic-interaction parameters