X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Finitialize_p.F;fp=source%2Fwham%2Fsrc-M%2Finitialize_p.F;h=9b03d11bd3fca8e3bfd17422551118b5f57fb26e;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=f47a95185eae31fa7298d0f0fd4bf181f62f1cbc;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git

diff --git a/source/wham/src-M/initialize_p.F b/source/wham/src-M/initialize_p.F
index f47a951..9b03d11 100644
--- a/source/wham/src-M/initialize_p.F
+++ b/source/wham/src-M/initialize_p.F
@@ -188,6 +188,7 @@ C Initialize the bridge arrays
       do i=1,maxres
 	ihpb(i)=0
 	jhpb(i)=0
+        dyn_ss_mask(i)=.false.
       enddo
 C
 C Initialize timing.
@@ -265,17 +266,19 @@ c-------------------------------------------------------------------------
      &   "EVDW SC-SC","EVDW2 SC-p","EES p-p","ECORR4 ","ECORR5 ",
      &   "ECORR6 ","EELLO ","ETURN3 ","ETURN4 ","ETURN6 ",
      &   "EBE bend","ESC SCloc","ETORS ","ETORSD ","EHPB","EVDWPP",
-     &   "EVDW2_14","ESTR","ESCCOR","EDIHC","EVDW_T","ELT"/
+     &   "EVDW2_14","ESTR","ESCCOR","EDIHC","EVDW_T","ELIPTRAN",
+     &   "EAFM","ETHETC"/
       data wname /
      &   "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC",
      &   "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD",
-     &   "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC","WLT"/
+     &   "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC",
+     &   "WLIPTRAN","WAFM","WTHETC"/
       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,
-     &    0.0d0,0.0,0.0/
+     &    0.0d0,0.0,0.0d0,0.0d0,0.0d0/
       data nprint_ene /22/
       data print_order /1,2,3,18,11,12,13,14,4,5,6,7,8,9,10,19,
-     &  16,15,17,20,21,22/
+     &  16,15,17,20,21,24,22,23/
       end 
 c---------------------------------------------------------------------------
       subroutine init_int_table
@@ -332,6 +335,7 @@ 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) goto 10
         do ii=1,nss
           if (ihpb(ii).eq.i+nres) then
             scheck=.true.