X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fstore_parm.F;h=acac0c348f290ecc2132f2facf8a20ce0a246b2a;hb=570baab87a562b1d5cfe02efe6fb3afe7491ecc5;hp=6b7769cf86118d64ab3ad68021bd4f5fef641f49;hpb=50d746e67789b4329c6ce9a2dde8ae78004b1a3f;p=unres.git

diff --git a/source/wham/src/store_parm.F b/source/wham/src/store_parm.F
index 6b7769c..acac0c3 100644
--- a/source/wham/src/store_parm.F
+++ b/source/wham/src/store_parm.F
@@ -107,10 +107,17 @@ c Store bond angle parameters
             do l=1,ntheterm3
               do m=1,ndouble
                 do mm=1,ndouble
-                 ffthet_all(mm,m,l,i,j,k,iblock,iparm)=
-     &           ffthet(mm,m,l,i,j,k,iblock)
-                 ggthet_all(mm,m,l,i,j,k,iblock,iparm)=
-     &           ggthet(mm,m,l,i,j,k,iblock)
+                if (iblock.eq.1) then
+                 ffthet_all1(mm,m,l,i,j,k,iparm)=
+     &   ffthet(mm,m,l,i,j,k,iblock)
+                 ggthet_all1(mm,m,l,i,j,k,iparm)=
+     &ggthet(mm,m,l,i,j,k,iblock)
+                  else
+                 ffthet_all2(mm,m,l,i,j,k,iparm)=
+     &   ffthet(mm,m,l,i,j,k,iblock)
+                 ggthet_all2(mm,m,l,i,j,k,iparm)=
+     &ggthet(mm,m,l,i,j,k,iblock)
+                  endif
                 enddo
               enddo
             enddo
@@ -371,8 +378,17 @@ c Restore bond angle parameters
             do l=1,ntheterm3
               do m=1,ndouble
                 do mm=1,ndouble
-                 ffthet(mm,m,l,i,j,k)=ffthet_all(mm,m,l,i,j,k,iparm)
-                 ggthet(mm,m,l,i,j,k)=ggthet_all(mm,m,l,i,j,k,iparm)
+                 if (iblock.eq.1) then
+                 ffthet(mm,m,l,i,j,k,iblock)=
+     &ffthet_all1(mm,m,l,i,j,k,iparm)
+                 ggthet(mm,m,l,i,j,k,iblock)=
+     &ggthet_all1(mm,m,l,i,j,k,iparm)
+                else
+                 ffthet(mm,m,l,i,j,k,iblock)=
+     &ffthet_all2(mm,m,l,i,j,k,iparm)
+                 ggthet(mm,m,l,i,j,k,iblock)=
+     &ggthet_all2(mm,m,l,i,j,k,iparm)
+                endif
                 enddo
               enddo
             enddo