X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.REMD~;fp=source%2Funres%2Fsrc_MD%2FCOMMON.REMD~;h=0000000000000000000000000000000000000000;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=ea797528149a8655d925598526cf6f9d6aa5d684;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/source/unres/src_MD/COMMON.REMD~ b/source/unres/src_MD/COMMON.REMD~ deleted file mode 100644 index ea79752..0000000 --- a/source/unres/src_MD/COMMON.REMD~ +++ /dev/null @@ -1,35 +0,0 @@ - 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) - common /remdcommon/ nrep,nstex,retmin,retmax,remd_t,remd_tlist, - & remd_mlist,remd_m,mremdsync,restart1file, - & traj1file,i_sync_step - 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, - & 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 -