X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fcluster%2Fwham%2Fsrc-M%2FCOMMON.CHAIN;h=03b65c5e7e20d89effde2425018d866b8cddb776;hb=05c18ccfcefc037cb8394bd779a4e51b7cbea6ec;hp=5158330a244096f0a888d55624da5481b2835ab1;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/cluster/wham/src-M/COMMON.CHAIN b/source/cluster/wham/src-M/COMMON.CHAIN index 5158330..03b65c5 100644 --- a/source/cluster/wham/src-M/COMMON.CHAIN +++ b/source/cluster/wham/src-M/COMMON.CHAIN @@ -1,9 +1,16 @@ integer nres,nres0,nsup,nstart_sup,nend_sup,nstart_seq, - &tabperm - double precision c,cref,dc,xloc,xrot,dc_norm,t,r,prod,rt + &tabperm,chain_length + double precision c,cref,dc,xloc,xrot,dc_norm,t,r,prod,rt, + & chain_rep common /chain/ c(3,maxres2+2),dc(3,maxres2),xloc(3,maxres), & xrot(3,maxres),dc_norm(3,maxres2),nres,nres0 common /rotmat/ t(3,3,maxres),r(3,3,maxres),prod(3,3,maxres), & rt(3,3,maxres) - common /refstruct/ cref(3,maxres2+2),nsup,nstart_sup,nstart_seq, - & nend_sup,tabperm(maxperm,maxsym) + common /refstruct/ cref(3,maxres2+2,maxperm), + & chain_rep(3,maxres2+2,maxsym), nsup,nstart_sup, + & nstart_seq, + & nend_sup, chain_length,tabperm(maxperm,maxsym) + double precision boxxsize,boxysize,boxzsize,enecut,sscut,sss, + &sssgrad + common /box/ boxxsize,boxysize,boxzsize,enecut,sscut,sss,sssgrad +