update

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

diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F
index 21a484e..9fa6137 100644 (file)
--- a/source/wham/src/readrtns.F
+++ b/source/wham/src/readrtns.F
@@ -17,6 +17,7 @@
       include "COMMON.FREE"
       include "COMMON.CONTROL"
       include "COMMON.ENERGIES"
+      include "COMMON.SBRIDGE"
       character*800 controlcard
       integer i,j,k,ii,n_ene_found
       integer ind,itype1,itype2,itypf,itypsc,itypp
@@ -70,6 +71,9 @@
       call reada(controlcard,"DELTA",delta,1.0d-2)
       call readi(controlcard,"EINICHECK",einicheck,2)
       call reada(controlcard,"DELTRMS",deltrms,5.0d-2)
+      call readi(controlcard,"NGRIDT",NGridT,400)
+      call reada(controlcard,"STARTGRIDT",StartGridT,200.0d0)
+      call reada(controlcard,"DELTA_T",Delta_T,1.0d0)
       call reada(controlcard,"DELTRGY",deltrgy,5.0d-2)
       call readi(controlcard,"RESCALE",rescale_mode,1)
       check_conf=index(controlcard,"NO_CHECK_CONF").eq.0
@@ -86,7 +90,16 @@
       entfile=index(controlcard,"ENTFILE").gt.0
       zscfile=index(controlcard,"ZSCFILE").gt.0
       with_dihed_constr = index(controlcard,"WITH_DIHED_CONSTR").gt.0
-      write (iout,*) "with_dihed_constr ",with_dihed_constr
+      call readi(controlcard,'CONSTR_DIST',constr_dist,0)
+      write (iout,*) "with_dihed_constr ",with_dihed_constr,
+     & " CONSTR_DIST",constr_dist
+      refstr = index(controlcard,'REFSTR').gt.0
+      pdbref = index(controlcard,'PDBREF').gt.0
+      dyn_ss=(index(controlcard,'DYN_SS').gt.0)
+C /06/28/2013 Adasko: dyn_ss is keyword allowing to break and create bond
+C disulfide bond. Note that in conterary to dynamics this in
+C CONTROLCARD. The bond are read in molread_zs.F 
+      call flush(iout)
       return
       end
 c------------------------------------------------------------------------------