update

[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 7ca29e0..6631c8a 100644 (file)
--- a/source/wham/src/initialize_p.F
+++ b/source/wham/src/initialize_p.F
@@ -159,6 +159,9 @@ 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
@@ -233,7 +236,7 @@ c-------------------------------------------------------------------------
       data wname /
      &   "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC",
      &   "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD",
-     &   "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC"/
+     &   "WSTRAIN","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC"/
       data ww0 /1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,
      &    1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,0.4d0,1.0d0,1.0d0,
      &    0.0d0,0.0/
@@ -296,6 +299,7 @@ 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.
@@ -465,7 +469,7 @@ 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))')