X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FCOMMON.CHAIN;fp=source%2Funres%2Fsrc-HCD-5D%2FCOMMON.CHAIN;h=d666fd95d5f7dc1b211d84f498ca7d6c475922ac;hb=43dfdc33f5b338546258b5a882326f97a76b5bd4;hp=da83764006ea58d98cf626e8f408d8d9bd30db3f;hpb=68aa1d135805a14583695611acfcf637748b4466;p=unres.git diff --git a/source/unres/src-HCD-5D/COMMON.CHAIN b/source/unres/src-HCD-5D/COMMON.CHAIN index da83764..d666fd9 100644 --- a/source/unres/src-HCD-5D/COMMON.CHAIN +++ b/source/unres/src-HCD-5D/COMMON.CHAIN @@ -1,7 +1,8 @@ integer nres,nsup,nstart_sup,nz_start,nz_end,iz_sc, & nres0,nstart_seq,nchain,chain_length,chain_border,iprzes, - & chain_border1,ireschain,tabpermchain,npermchain,afmend,afmbeg, - & nres_chomo,nmodel_start + & chain_border1,ireschain,tabpermchain,npermchain,nequiv, + & nchain_group,iequiv,mapchain,afmend,afmbeg, + & nres_chomo,nmodel_start,nran_start double precision c,dc,dc_old,d_c_work,xloc,xrot,dc_norm,t,r, & prod,rt,dc_work,cref,crefjlee,dc_norm2,velAFMconst, & totTafm,chomo @@ -9,14 +10,15 @@ common /chain/ c(3,maxres2+2),dc(3,0:maxres2),dc_old(3,0:maxres2), & xloc(3,maxres),xrot(3,maxres),dc_norm(3,0:maxres2), & dc_norm2(3,0:maxres2), - & dc_work(MAXRES6),nres,nres0 + & dc_work(MAXRES6),nres,nres0,nran_start common /rotmat/ t(3,3,maxres),r(3,3,maxres),prod(3,3,maxres), & rt(3,3,maxres) common /refstruct/ cref(3,maxres2+2), & crefjlee(3,maxres2+2), & nsup,nstart_sup,nstart_seq,iprzes, & chain_length(maxchain),npermchain,ireschain(maxres), - & tabpermchain(maxchain,maxperm), + & tabpermchain(maxchain,maxperm),nchain_group, + & iequiv(maxchain,maxres),nequiv(maxchain),mapchain(maxchain), & chain_border(2,maxchain),chain_border1(2,maxchain),nchain common /from_zscore/ nz_start,nz_end,iz_sc double precision boxxsize,boxysize,boxzsize,enecut,sscut,