X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fstore_parm.F;h=081172683988a213b0a0c6e0667c6e1a7fe2beba;hb=af92d6e287b870d006a9eddd64db784679bbf10a;hp=0727c010443f3bd46daa60e4ce1f79a4c5b203a3;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git

diff --git a/source/wham/src-M/store_parm.F b/source/wham/src-M/store_parm.F
index 0727c01..0811726 100644
--- a/source/wham/src-M/store_parm.F
+++ b/source/wham/src-M/store_parm.F
@@ -1,4 +1,4 @@
-      subroutine store_parm(iparm)
+              subroutine store_parm(iparm)
 C
 C Store parameters of set IPARM
 C valence angles and the side chains and energy parameters.
@@ -226,12 +226,17 @@ c Store disulfide-bond parameters
       v2ss_all(iparm)=v2ss
       v3ss_all(iparm)=v3ss
 c Store SC-backbone correlation parameters
-      nterm_sccor_all(iparm)=nterm_sccor
-      do i=1,20
-        do j=1,20
-          do k=1,nterm_sccor
-            v1sccor_all(k,i,j,iparm)=v1sccor(k,i,j)
-            v2sccor_all(k,i,j,iparm)=v2sccor(k,i,j)
+      do i=-nsccortyp,nsccortyp
+       do j=-nsccortyp,nsccortyp
+
+      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_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
       enddo
@@ -466,12 +471,15 @@ c Restore disulfide-bond parameters
       v2ss=v2ss_all(iparm)
       v3ss=v3ss_all(iparm)
 c Restore SC-backbone correlation parameters
-      nterm_sccor=nterm_sccor_all(iparm)
-      do i=1,20
-        do j=1,20
-          do k=1,nterm_sccor
-            v1sccor(k,i,j)=v1sccor_all(k,i,j,iparm)
-            v2sccor(k,i,j)=v2sccor_all(k,i,j,iparm)
+      do i=-nsccortyp,nsccortyp
+       do j=-nsccortyp,nsccortyp
+
+      nterm_sccor(j,i)=nterm_sccor_all(j,i,iparm)
+        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)
+           enddo
           enddo
         enddo
       enddo