unres

[unres.git] / source / unres / src-HCD-5D / geomout.F

diff --git a/source/unres/src-HCD-5D/geomout.F b/source/unres/src-HCD-5D/geomout.F
index 3dcde10..553dbf6 100644 (file)
--- a/source/unres/src-HCD-5D/geomout.F
+++ b/source/unres/src-HCD-5D/geomout.F
@@ -145,7 +145,7 @@ cmodel      write (iunit,'(a5,i6)') 'MODEL',1
       endif
       do i=1,nss
        if (dyn_ss) then
-        write (iunit,30) ica(idssb(i))+1,ica(jdssb(i))+1
+        write (iunit,30) ica(iss(idssb(i)))+1,ica(iss(jdssb(i)))+1
        else
         write (iunit,30) ica(ihpb(i)-nres)+1,ica(jhpb(i)-nres)+1
        endif
@@ -153,7 +153,7 @@ cmodel      write (iunit,'(a5,i6)') 'MODEL',1
       write (iunit,'(a6)') 'ENDMDL'     
   10  FORMAT ('ATOM',I7,'  CA  ',A3,1X,A1,I4,4X,3F8.3,f15.3)
   20  FORMAT ('ATOM',I7,'  CB  ',A3,1X,A1,I4,4X,3F8.3,f15.3)
-  30  FORMAT ('CONECT',8I7)
+  30  FORMAT ('CONECT',8I5)
       return
       end
 c------------------------------------------------------------------------------
@@ -335,6 +335,7 @@ c-----------------------------------------------------------------
 #else
       parameter (me=0)
 #endif
+      include 'COMMON.CONTROL'
       include 'COMMON.CHAIN'
       include 'COMMON.INTERACT'
       include 'COMMON.NAMES'
@@ -359,8 +360,13 @@ c-----------------------------------------------------------------
       call xdrfint_(ixdrf, nss, iret) 
       do j=1,nss
        if (dyn_ss) then
-        call xdrfint_(ixdrf, idssb(j)+nres, iret)
-        call xdrfint_(ixdrf, jdssb(j)+nres, iret)
+        if (modecalc.eq.14) then
+          call xdrfint_(ixdrf, idssb(j), iret)
+          call xdrfint_(ixdrf, jdssb(j), iret)
+        else
+          call xdrfint_(ixdrf, iss(idssb(j))+nres, iret)
+          call xdrfint_(ixdrf, iss(jdssb(j))+nres, iret)
+        endif
        else
         call xdrfint_(ixdrf, ihpb(j), iret)
         call xdrfint_(ixdrf, jhpb(j), iret)
@@ -391,8 +397,13 @@ c     & " nss",nss
       call xdrfint(ixdrf, nss, iret) 
       do j=1,nss
        if (dyn_ss) then
-        call xdrfint(ixdrf, idssb(j)+nres, iret)
-        call xdrfint(ixdrf, jdssb(j)+nres, iret)
+        if (modecalc.eq.14) then
+          call xdrfint(ixdrf, idssb(j), iret)
+          call xdrfint(ixdrf, jdssb(j), iret)
+        else
+          call xdrfint(ixdrf, iss(idssb(j))+nres, iret)
+          call xdrfint(ixdrf, iss(jdssb(j))+nres, iret)
+        endif
        else
         call xdrfint(ixdrf, ihpb(j), iret)
         call xdrfint(ixdrf, jhpb(j), iret)