X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CHAIN;h=fe0297c26143edf60917b18ea0f6ab9d756a2f12;hb=84bd5165b1f28ca095851e740cbcc1ff2a6be29c;hp=71db8f7a0e87058dec9b85ae33df60d323a239fd;hpb=2acc9917f7452c3a59a242e6033bea16f846cbfe;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CHAIN b/source/unres/src_MD-M/COMMON.CHAIN index 71db8f7..fe0297c 100644 --- a/source/unres/src_MD-M/COMMON.CHAIN +++ b/source/unres/src_MD-M/COMMON.CHAIN @@ -1,5 +1,6 @@ integer nres,nsup,nstart_sup,nz_start,nz_end,iz_sc, - & nres0,nstart_seq,chain_length,iprzes,tabperm,nperm + & nres0,nstart_seq,chain_length,iprzes,tabperm,nperm,afmend, + & afmbeg double precision c,dc,dc_old,d_c_work,xloc,xrot,dc_norm,t,r, & prod,rt,dc_work,cref,crefjlee,chain_rep,dc_norm2 common /chain/ c(3,maxres2+2),dc(3,0:maxres2),dc_old(3,0:maxres2), @@ -9,7 +10,15 @@ common /rotmat/ t(3,3,maxres),r(3,3,maxres),prod(3,3,maxres), & rt(3,3,maxres) common /refstruct/ cref(3,maxres2+2,maxperm), - &crefjlee(3,maxres2+2), - & nsup,nstart_sup,nstart_seq,chain_rep(3,maxres2+2,maxsym), + & crefjlee(3,maxres2+2), + & chain_rep(3,maxres2+2,maxsym), + & nsup,nstart_sup,nstart_seq, & chain_length,iprzes,tabperm(maxperm,maxsym),nperm common /from_zscore/ nz_start,nz_end,iz_sc + double precision boxxsize,boxysize,boxzsize,enecut,sscut, + & sss,sssgrad, + & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick + common /box/ boxxsize,boxysize,boxzsize,enecut,sscut,sss,sssgrad, + & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick + common /afm/ forceAFMconst, distafminit,afmend,afmbeg +