X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.MD;h=cbb474f3f453c740bfa6829f82c97daf924fd50b;hb=4510e7a28accbbc6f70a49b69e5e01f43b1068a9;hp=bc0014ba361d51023adcfdd22b5d50cd4582e05a;hpb=989b55752ffaadfa073c68b17130a1755d304d6b;p=unres.git diff --git a/source/unres/src_MD/COMMON.MD b/source/unres/src_MD/COMMON.MD index bc0014b..cbb474f 100644 --- a/source/unres/src_MD/COMMON.MD +++ b/source/unres/src_MD/COMMON.MD @@ -26,7 +26,8 @@ c modified by FP (Nov.,2014) & sigma_d(max_template,maxres) c - integer ires_homo(maxdim),jres_homo(maxdim) + integer ires_homo(maxdim), + & jres_homo(maxdim),idomain(max_template,maxres) 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, @@ -53,18 +54,22 @@ 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,preminim + & surfarea,rattle,usampl,mdpdb,RESPA,tnp,tnp1,tnh,xiresp,preminim, + & l_homo(max_template,maxdim) 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 /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, + & idomain,l_homo c c FP (30/10/2014,04/03/2015) -c +c + common /homrestr_double/ & xxtpl,yytpl,zztpl,thetatpl,sigma_theta,sigma_d,sigma_odlir c common /qmeas/ qfrag,qpair,qinfrag,qinpair,wfrag,wpair,eq_time,