read2sigma supports separate domain definition in each *sco file

[unres.git] / source / unres / src_MD / COMMON.MD

diff --git a/source/unres/src_MD/COMMON.MD b/source/unres/src_MD/COMMON.MD
index 24fc1b3..cbb474f 100644 (file)
--- a/source/unres/src_MD/COMMON.MD
+++ b/source/unres/src_MD/COMMON.MD
@@ -15,7 +15,8 @@
      & vtot(MAXRES2),Gvec(maxres2,maxres2),Geigen(maxres2)
 
        real*8 odl(max_template,maxdim),sigma_odl(max_template,maxdim),
-     &    dih(max_template,maxres),sigma_dih(max_template,maxres)
+     &    dih(max_template,maxres),sigma_dih(max_template,maxres),
+     &    sigma_odlir(max_template,maxdim)
 c
 c    Specification of new variables used in  subroutine e_modeller
 c    modified by FP (Nov.,2014)
@@ -25,7 +26,8 @@ c    modified by FP (Nov.,2014)
      &        sigma_d(max_template,maxres)
 c
 
-       integer ires_homo(maxdim),jres_homo(maxdim)
+       integer ires_homo(maxdim),
+     & jres_homo(maxdim),idomain(max_template,maxres)
 
        double precision v_ini,d_time,d_time0,t_bath,tau_bath,
      & EK,potE,potEcomp(0:n_ene+4),totE,totT,amax,kinetic_T,dvmax,damax,
@@ -52,19 +54,23 @@ c
       integer nresn,nyosh,nnos
       double precision glogs,qmass,vlogs,xlogs
       logical large,print_compon,tbf,rest,reset_moment,reset_vel,
-     & surfarea,rattle,usampl,mdpdb,RESPA,tnp,tnp1,tnh,xiresp,preminim
+     & surfarea,rattle,usampl,mdpdb,RESPA,tnp,tnp1,tnh,xiresp,preminim,
+     & l_homo(max_template,maxdim)
       integer igmult_start,igmult_end,my_ng_count,ng_start,ng_counts,
      & nginv_start,nginv_counts,myginv_ng_count
+
       common /back_constr/ uconst_back,utheta,ugamma,uscdiff,
      & dutheta,dugamma,duscdiff,duscdiffx,
      & wfrag_back,nfrag_back,ifrag_back
        common /homrestr/ odl,dih,sigma_dih,sigma_odl,
      & lim_odl,lim_dih,ires_homo,jres_homo,link_start_homo,
      & link_end_homo,idihconstr_start_homo,idihconstr_end_homo,
+     & idomain,l_homo
 c
-c    FP (30/10/2014)
-c
-     & xxtpl,yytpl,zztpl,thetatpl,sigma_theta,sigma_d
+c    FP (30/10/2014,04/03/2015)
+c      
+       common /homrestr_double/
+     & xxtpl,yytpl,zztpl,thetatpl,sigma_theta,sigma_d,sigma_odlir
 c
       common /qmeas/ qfrag,qpair,qinfrag,qinpair,wfrag,wpair,eq_time,
      & Ucdfrag,Ucdpair,dUdconst,dUdxconst,dqwol,dxqwol,Uconst,