Merge branch 'lipid' of mmka.chem.univ.gda.pl:unres into lipid

[unres.git] / source / unres / src_MD-NEWSC / COMMON.REMD

diff --git a/source/unres/src_MD-NEWSC/COMMON.REMD b/source/unres/src_MD-NEWSC/COMMON.REMD
new file mode 100644 (file)
index 0000000..b283b5b
--- /dev/null
+++ b/source/unres/src_MD-NEWSC/COMMON.REMD
@@ -0,0 +1,36 @@
+      integer nrep,nstex,hremd
+      logical remd_tlist,remd_mlist,mremdsync,restart1file,traj1file
+      double precision retmin,retmax,remd_t(maxprocs)
+      double precision hweights(maxprocs/20,n_ene)
+      integer remd_m(maxprocs),i_sync_step
+      integer*2 i2rep(0:maxprocs),i2set(0:maxprocs)
+      integer*2 ifirst(maxprocs)
+      integer*2 nupa(0:maxprocs/4,0:maxprocs),
+     &          ndowna(0:maxprocs/4,0:maxprocs)
+      real t_restart1(5,maxprocs)
+      integer iset_restart1(maxprocs)
+      logical t_exchange_only
+      common /remdcommon/ nrep,nstex,retmin,retmax,remd_t,remd_tlist,
+     &                    remd_mlist,remd_m,mremdsync,restart1file,
+     &                    traj1file,i_sync_step,t_exchange_only
+      common /hamilt_remd/ hweights,hremd
+      common /remdrestart/ i2rep,i2set,ifirst,nupa,ndowna,t_restart1,
+     &                    iset_restart1
+      real totT_cache,EK_cache,potE_cache,t_bath_cache,Uconst_cache,
+     &     qfrag_cache,qpair_cache,c_cache,uscdiff_cache,
+     &     ugamma_cache,utheta_cache
+      integer ntwx_cache,ii_write,max_cache_traj_use
+      common /traj1cache/ totT_cache(max_cache_traj),
+     &                    EK_cache(max_cache_traj),
+     &                    potE_cache(max_cache_traj),
+     &                    t_bath_cache(max_cache_traj),
+     &                    Uconst_cache(max_cache_traj),
+     &                    qfrag_cache(50,max_cache_traj),
+     &                    qpair_cache(100,max_cache_traj),
+     &                    ugamma_cache(maxfrag_back,max_cache_traj),
+     &                    utheta_cache(maxfrag_back,max_cache_traj),
+     &                    uscdiff_cache(maxfrag_back,max_cache_traj),
+     &                    c_cache(3,maxres2+2,max_cache_traj),
+     &                    iset_cache(max_cache_traj),ntwx_cache,
+     &                    ii_write,max_cache_traj_use
+