Merge branch 'adasko' into devel

[unres.git] / source / wham / src / initialize_p.F

diff --git a/source/wham/src/initialize_p.F b/source/wham/src/initialize_p.F
index b27cd2d..3150e4e 100644 (file)
--- a/source/wham/src/initialize_p.F
+++ b/source/wham/src/initialize_p.F
@@ -42,7 +42,9 @@ C
       igeom=  8
       intin=  9
       ithep= 11
+      ithep_pdb=51
       irotam=12
+      irotam_pdb=52
       itorp= 13
       itordp= 23
       ielep= 14
@@ -185,6 +187,9 @@ C Initialize the bridge arrays
        ihpb(i)=0
        jhpb(i)=0
       enddo
+      do i=1,maxres
+        dyn_ss_mask(i)=.false.
+      enddo
 C
 C Initialize timing.
 C
@@ -326,6 +331,7 @@ cd    write (iout,*) 'ns=',ns,' nss=',nss,' ihpb,jhpb',
 cd   &   (ihpb(i),jhpb(i),i=1,nss)
       do i=nnt,nct-1
         scheck=.false.
+        if (dyn_ss) go to 10
         do ii=1,nss
           if (ihpb(ii).eq.i+nres) then
             scheck=.true.
@@ -495,7 +501,7 @@ cd        write (iout,*) 'i.gt.nct-iscp'
         endif 
       enddo ! i
 #endif
-      if (lprint) then
+              if (lprint) then
         write (iout,'(a)') 'SC-p interaction array:'
         do i=iatscp_s,iatscp_e
           write (iout,'(i3,2(2x,2i3))')