Wprowadzenie SCCOR dla wham-M

[unres.git] / source / wham / src-M / store_parm.F

diff --git a/source/wham/src-M/store_parm.F b/source/wham/src-M/store_parm.F
index 93c5b5e..0811726 100644 (file)
--- a/source/wham/src-M/store_parm.F
+++ b/source/wham/src-M/store_parm.F
@@ -226,16 +226,16 @@ c Store disulfide-bond parameters
       v2ss_all(iparm)=v2ss
       v3ss_all(iparm)=v3ss
 c Store SC-backbone correlation parameters
-      do i=1,nsccortyp
-       do j=1,nsccortyp
+      do i=-nsccortyp,nsccortyp
+       do j=-nsccortyp,nsccortyp
 
-      nterm_sccor(j,i)=nterm_sccor_all(j,i,iparm)
+      nterm_sccor_all(j,i,iparm)=nterm_sccor(j,i)
 c      do i=1,20
 c        do j=1,20
          do l=1,3
           do k=1,nterm_sccor(j,i)
-            v1sccor(k,l,j,i)=v1sccor_all(k,l,j,i,iparm)
-            v2sccor(k,l,j,i)=v2sccor_all(k,l,j,i,iparm)
+            v1sccor_all(k,l,j,i,iparm)=v1sccor(k,l,j,i)
+            v2sccor_all(k,l,j,i,iparm)=v2sccor(k,l,j,i)
            enddo
           enddo
         enddo
@@ -471,14 +471,14 @@ c Restore disulfide-bond parameters
       v2ss=v2ss_all(iparm)
       v3ss=v3ss_all(iparm)
 c Restore SC-backbone correlation parameters
-      do i=1,nsccortyp
-       do j=1,nsccortyp
+      do i=-nsccortyp,nsccortyp
+       do j=-nsccortyp,nsccortyp
 
-      nterm_sccor_all(j,i,iparm)=nterm_sccor(j,i)
+      nterm_sccor(j,i)=nterm_sccor_all(j,i,iparm)
         do l=1,3
            do k=1,nterm_sccor(j,i)
-            v1sccor_all(k,l,j,i,iparm)=v1sccor(k,l,j,i)
-            v2sccor_all(k,l,j,i,iparm)=v2sccor(k,l,j,i)
+            v1sccor(k,l,j,i)=v1sccor_all(k,l,j,i,iparm)
+            v2sccor(k,l,j,i)=v2sccor_all(k,l,j,i,iparm)
            enddo
           enddo
         enddo