X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.MD;h=bc0014ba361d51023adcfdd22b5d50cd4582e05a;hb=b416cd95f5e18db88f1bba9c9de8cf005a6557f4;hp=b66ea2c03e61b235aaef35a05563bf9ce5a7518e;hpb=300ba71bc245fd18664d59de0972b36fa1bb50b7;p=unres.git

diff --git a/source/unres/src_MD/COMMON.MD b/source/unres/src_MD/COMMON.MD
index b66ea2c..bc0014b 100644
--- 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)
@@ -52,7 +53,7 @@ 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
+     & surfarea,rattle,usampl,mdpdb,RESPA,tnp,tnp1,tnh,xiresp,preminim
       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,
@@ -62,9 +63,9 @@ c
      & lim_odl,lim_dih,ires_homo,jres_homo,link_start_homo,
      & link_end_homo,idihconstr_start_homo,idihconstr_end_homo,
 c
-c    FP (30/10/2014)
+c    FP (30/10/2014,04/03/2015)
 c
-     & xxtpl,yytpl,zztpl,thetatpl,sigma_theta,sigma_d
+     & 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,
@@ -72,7 +73,7 @@ c
       common /mdpar/ v_ini,d_time,d_time0,scal_fric,
      & t_bath,tau_bath,dvmax,damax,n_timestep,mdpdb,
      & ntime_split,ntime_split0,maxtime_split,
-     & ntwx,ntwe,large,print_compon,tbf,rest,tnp,tnp1,tnh
+     & ntwx,ntwe,large,print_compon,tbf,rest,tnp,tnp1,tnh,preminim
       common /MDcalc/ totT,totE,potE,potEcomp,EK,amax,edriftmax,
      & kinetic_T
       common /lagrange/ d_t,d_t_old,d_t_new,d_t_work,