Adam's homology version of unres with new readpdb.F now in src_MD

[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 6ce6a3f..bd38d1b 100644 (file)
--- a/source/unres/src_MD/COMMON.MD
+++ b/source/unres/src_MD/COMMON.MD
@@ -13,6 +13,12 @@
      & d_a(3,0:MAXRES2),d_a_work(6*MAXRES),kinetic_force(MAXRES6),
      & Gsqrp(MAXRES2,MAXRES2),Gsqrm(MAXRES2,MAXRES2),
      & 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)
+
+       integer ires_homo(maxdim),jres_homo(maxdim)
+
        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,
      & edriftmax,
@@ -28,7 +34,8 @@
       integer n_timestep,ntwx,ntwe,lang,count_reset_moment,
      & count_reset_vel,reset_fricmat,nfrag,npair,nfrag_back,
      & ifrag_back(3,maxfrag_back,maxprocs/20),ntime_split,ntime_split0,
-     & maxtime_split
+     & maxtime_split,lim_odl,lim_dih,link_start_homo,link_end_homo,
+     & idihconstr_start_homo,idihconstr_end_homo
       integer nresn,nyosh,nnos
       double precision glogs,qmass,vlogs,xlogs
       logical large,print_compon,tbf,rest,reset_moment,reset_vel,
@@ -38,6 +45,9 @@
       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
       common /qmeas/ qfrag,qpair,qinfrag,qinpair,wfrag,wpair,eq_time,
      & Ucdfrag,Ucdpair,dUdconst,dUdxconst,dqwol,dxqwol,Uconst,
      & iset,mset,nset,usampl,ifrag,ipair,npair,nfrag
@@ -74,4 +84,4 @@
      &                    nresn,nyosh,nnos,xiresp
       integer hmc,hmc_acc
       double precision dc_hmc,hmc_etot,totThmc
-      common /hmc_md/ dc_hmc(3,0:maxres2),hmc_etot,hmc,totThmc,hmc_acc
+      common /hmc_md/ dc_hmc(3,0:maxres2),hmc_etot,totThmc,hmc,hmc_acc