X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2FCOMMON.MD_;fp=source%2Funres%2Fsrc_CSA_DiL%2FCOMMON.MD_;h=0000000000000000000000000000000000000000;hp=22dba7c668cbacd825ff0f1c0c7477a174ccc6c9;hb=de4bc5453ea46e111d936cb85e1758ed21c08fcd;hpb=b75425747e3e2b448ca5e0ef8367712e1f339124

diff --git a/source/unres/src_CSA_DiL/COMMON.MD_ b/source/unres/src_CSA_DiL/COMMON.MD_
deleted file mode 100644
index 22dba7c..0000000
--- a/source/unres/src_CSA_DiL/COMMON.MD_
+++ /dev/null
@@ -1,74 +0,0 @@
-      double precision  gcart, gxcart, gradcag,gradxag
-      common /mdgrad/ gcart(3,0:MAXRES), gxcart(3,0:MAXRES),
-     & gradcag(3,MAXRES),gradxag(3,MAXRES)
-       integer dimen,dimen1, dimen3, ifrag(2,50,maxprocs/20), 
-     &                       ipair(2,100,maxprocs/20),iset,
-     &                       mset(maxprocs/20),nset
-       double precision IP,ISC(ntyp+1),mp,
-     & msc(ntyp+1),d_t_work(MAXRES6),
-     & d_t_work_new(MAXRES6),d_t(3,0:MAXRES2),d_t_new(3,0:MAXRES2),
-     & d_af_work(MAXRES6),d_as_work(MAXRES6),
-     & d_t_old(3,0:MAXRES2),d_a_old(3,0:MAXRES2),d_a_short(3,0:MAXRES2),
-     & Gmat(MAXRES2,MAXRES2),Ginv(MAXRES2,MAXRES2),A(MAXRES2,MAXRES2),
-     & 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)
-       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,
-     & eq_time,wfrag(50,maxprocs/20),wpair(100,maxprocs/20),
-     & qfrag(50),qpair(100),
-     & qinfrag(50,maxprocs/20),qinpair(100,maxprocs/20),
-     & Ucdfrag,Ucdpair,dUdconst(3,0:MAXRES),Uconst,
-     & dUdxconst(3,0:MAXRES),dqwol(3,0:MAXRES),dxqwol(3,0:MAXRES),
-     & utheta(maxfrag_back),ugamma(maxfrag_back),uscdiff(maxfrag_back),
-     & dutheta(maxres),dugamma(maxres),duscdiff(3,maxres),
-     & duscdiffx(3,maxres),wfrag_back(3,maxfrag_back,maxprocs/20),
-     & uconst_back
-      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
-      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
-      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 /qmeas/ qfrag,qpair,qinfrag,qinpair,wfrag,wpair,eq_time,
-     & Ucdfrag,Ucdpair,dUdconst,dUdxconst,dqwol,dxqwol,Uconst,
-     & iset,mset,nset,usampl,ifrag,ipair,npair,nfrag
-      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
-      common /MDcalc/ totT,totE,potE,potEcomp,EK,amax,edriftmax,
-     & kinetic_T
-      common /lagrange/ d_t,d_t_old,d_t_new,d_t_work,
-     & d_t_work_new,d_a,d_a_old,d_a_work,d_af_work,d_as_work,d_a_short,
-     & kinetic_force,
-     & A,Ginv,Gmat,Gvec,Geigen,Gsqrp,Gsqrm,
-     & vtot,dimen,dimen1,dimen3,lang,
-     & reset_moment,reset_vel,count_reset_moment,count_reset_vel,
-     & rattle,RESPA
-      common /inertia/ IP,ISC,MP,MSC
-      double precision scal_fric,rwat,etawat,gamp,
-     & gamsc(ntyp),stdfp,stdfsc(ntyp),stdforcp(MAXRES),
-     & stdforcsc(MAXRES),pstok,restok(ntyp+1),cPoise,Rb
-      common /langevin/ pstok,restok,gamp,gamsc,
-     & stdfp,stdfsc,stdforcp,stdforcsc,rwat,etawat,cPoise,Rb,surfarea,
-     & reset_fricmat
-      common /mdpmpi/ igmult_start,igmult_end,my_ng_count,
-     & myginv_ng_count,
-     & ng_start(0:MaxProcs-1),ng_counts(0:MaxProcs-1),
-     & nginv_start(0:MaxProcs),nginv_counts(0:MaxProcs-1)
-      double precision pi_np,pistar,s_np,s12_np,Q_np,E_old,H0,E_long,
-     & sold_np,d_t_half,Csplit
-      common /nosepoincare/ pi_np,pistar,s_np,s12_np,Q_np,E_old,H0,
-     & E_long,sold_np,d_t_half(3,0:MAXRES2),Csplit
-      common /nosehoover/ glogs(maxmnh),qmass(maxmnh),
-     &                    vlogs(maxmnh),xlogs(maxmnh),
-     &                    nresn,nyosh,nnos,xiresp