Index: SMMP/lib.lun
===================================================================
--- SMMP/lib.lun	(revision 4fd433898129b76af7d86c2568dc7e40ce335796)
+++ SMMP/lib.lun	(revision ba939c7e8e363c22833cb042a7c45da0d8b46319)
@@ -357,9 +357,15 @@
 h2             1.0           109.47          -60.     .044    1   3   0   0   0
 h3             1.0           109.47           60.     .044    1   3   0   0   0
-#nh2    3   1
-n              1.330         116.600  3*psi  180.    -.332   14   0   2   3   0
-h1             1.            112.     6*phi  180.     .076    4   1   0   0   0
-h2             1.            112.            -60.     .076    4   1   0   0   0
+#nh2    4   1
+n              1.330         116.600  3*psi  180.    -.242   13   0   2   3   4
+h1             1.            109.47   7*phi  180.     .354    3   1   0   0   0
+h2             1.            109.47           60.     .354    3   1   0   0   0
+h3             1.            109.47          -60.     .354    3   1   0   0   0
 #nh3+   4   1
+n              1.330         116.600  3*psi  180.    -.242   13   0   2   3   4
+h1             1.            109.47   7*phi  180.     .354    3   1   0   0   0
+h2             1.            109.47           60.     .354    3   1   0   0   0
+h3             1.            109.47          -60.     .354    3   1   0   0   0
+#nh2g   4   1
 n              1.330         116.600  3*psi  180.    -.242   13   0   2   3   4
 h1             1.            109.47   7*phi  180.     .354    3   1   0   0   0
@@ -371,9 +377,8 @@
 h2             1.            109.47           60.     .354    3   1   0   0   0
 h3             1.            109.47          -60.     .354    3   1   0   0   0
-#cooh   4   1
-c              1.520         111.000  2*phi  180.     .517    8   0  -2   3   0
-o              1.230         121.700           0.    -.351   11  -1   0   0   0
-oxt            1.230         121.700  9*pst  180.    -.334   10   1   4   0   0
-hxt            1.            110.    16*omt  180.     .235    5   3   0   0   0
+#cooh   3   1
+c              1.520         111.000  2*phi  180.     .395    8   0  -2  -3   0
+o              1.230         121.700           0.    -.664   12  -1   0   0   0
+oxt            1.230         121.700 10*pst  180.    -.664   12  -1   0   0   0
 #coo-   3   1
 c              1.520         111.000  2*phi  180.     .395    8   0  -2  -3   0
Index: init_molecule.f
===================================================================
--- init_molecule.f	(revision 4fd433898129b76af7d86c2568dc7e40ce335796)
+++ init_molecule.f	(revision ba939c7e8e363c22833cb042a7c45da0d8b46319)
@@ -105,10 +105,34 @@
  2       write(*,*) ' '
          
+         ireg = 0
+         
+      else                      ! =========================== from PDB
+         if (iendst(seqfile).le.1) then
+ 3          write (*,'(/,a,$)') ' PDB-file:'
+            seqfil=' '
+            read (*,'(a)',err=3) seqfil
+         else
+            seqfil = seqfile
+         endif
+         write (*,*) 'PDB structure ',seqfil(1:iendst(seqfil))
+         print *, 'calling readpdb with ',seqfile
+         call pdbread(seqfil,ier)
+         
+         if (ier.ne.0) stop
+         
+         call pdbvars()
+         
+         ireg = 1
+         
+      endif
+      
 ! If Lund force field is in use, keep omega angles fixed
       if (ientyp.eq.2) then
          do iv=1,nvrml(ntlml)
-            if (nmvr(iv).eq.'omg') then
+            if ((nmvr(iv)(1:2).eq.'om')) then
+                vlvr(iv)=pi
+                toat(iatvr(iv))=pi
+                fxvr(iv)=.true.
                 print *, 'Fixed variable ',iv,nmvr(iv),vlvr(iv)
-                fxvr(iv)=.true.
             endif
          enddo
@@ -118,12 +142,12 @@
          nvr = 0
          do i=1,ivrml1(ntlml)+nvrml(ntlml)-1
-            
+
             if (.not.fxvr(i)) then
                nvr=nvr+1
                idvr(nvr)=i      ! index of not fixed var.
             endif
-            
+
             it=ityvr(i)
-            
+
             if (it.eq.3) then   ! torsion
                vlvr(i)=toat(iatvr(i))
@@ -134,29 +158,7 @@
             endif
 
-            olvlvr(i) = vlvr(i) 
-         enddo
-         
-         ireg = 0
-         
-      else                      ! =========================== from PDB
-         if (iendst(seqfile).le.1) then
- 3          write (*,'(/,a,$)') ' PDB-file:'
-            seqfil=' '
-            read (*,'(a)',err=3) seqfil
-         else
-            seqfil = seqfile
-         endif
-         write (*,*) 'PDB structure ',seqfil(1:iendst(seqfil))
-         print *, 'calling readpdb with ',seqfile
-         call pdbread(seqfil,ier)
-         
-         if (ier.ne.0) stop
-         
-         call pdbvars()
-         
-         ireg = 1
-         
-      endif
-      
+            olvlvr(i) = vlvr(i)
+         enddo
+
 !     -------------------------- set var. amplitudes for simulations
       
