Merge branch 'multichain' of mmka:unres into 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 97f2245..1244d5d 100644 (file)
--- a/source/unres/src_MD-M/parmread.F
+++ b/source/unres/src_MD-M/parmread.F
@@ -913,29 +913,37 @@ C
         write (iout,*) "Coefficients of the cumulants"
       endif
       read (ifourier,*) nloctyp
+
       do i=0,nloctyp-1
         read (ifourier,*,end=115,err=115)
         read (ifourier,*,end=115,err=115) (b(ii),ii=1,13)
+#ifdef NEWCORR
+        read (ifourier,*,end=115,err=115) (bnew1(ii,1,i),ii=1,3)
+        read (ifourier,*,end=115,err=115) (bnew2(ii,1,i),ii=1,3)
+        read (ifourier,*,end=115,err=115) (bnew1(ii,2,i),ii=1,1)
+        read (ifourier,*,end=115,err=115) (bnew2(ii,2,i),ii=1,1)
+        read (ifourier,*,end=115,err=115) (eenew(ii,i),ii=1,1)
+#endif 
         if (lprint) then
         write (iout,*) 'Type',i
         write (iout,'(a,i2,a,f10.5)') ('b(',ii,')=',b(ii),ii=1,13)
         endif
-        B1(1,i)  = b(3)
-        B1(2,i)  = b(5)
-        B1(1,-i) = b(3)
-        B1(2,-i) = -b(5)
+c        B1(1,i)  = b(3)
+c        B1(2,i)  = b(5)
+c        B1(1,-i) = b(3)
+c        B1(2,-i) = -b(5)
 c        b1(1,i)=0.0d0
 c        b1(2,i)=0.0d0
-        B1tilde(1,i) = b(3)
-        B1tilde(2,i) =-b(5)
-        B1tilde(1,-i) =-b(3)
-        B1tilde(2,-i) =b(5)
+c        B1tilde(1,i) = b(3)
+c        B1tilde(2,i) =-b(5)
+c        B1tilde(1,-i) =-b(3)
+c        B1tilde(2,-i) =b(5)
 c        b1tilde(1,i)=0.0d0
 c        b1tilde(2,i)=0.0d0
-        B2(1,i)  = b(2)
-        B2(2,i)  = b(4)
-        B2(1,-i)  =b(2)
-        B2(2,-i)  =-b(4)
+c        B2(1,i)  = b(2)
+c        B2(2,i)  = b(4)
+c        B2(1,-i)  =b(2)
+c        B2(2,-i)  =-b(4)
 
 c        b2(1,i)=0.0d0
 c        b2(2,i)=0.0d0
@@ -989,21 +997,22 @@ 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
@@ -1021,10 +1030,11 @@ 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