X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD-5D%2FCOMMON.CHAIN;h=dfffc78565c9cc31f90441781fad41e5f32a949e;hb=2bc0c5f06a45a86998d13adb237a1c84e46e12e8;hp=7369baa1624373baf60c5f21aa472b834e22be19;hpb=57fd9101200e85f97d56c97be8c418396b08e05a;p=unres.git diff --git a/source/wham/src-HCD-5D/COMMON.CHAIN b/source/wham/src-HCD-5D/COMMON.CHAIN index 7369baa..dfffc78 100644 --- a/source/wham/src-HCD-5D/COMMON.CHAIN +++ b/source/wham/src-HCD-5D/COMMON.CHAIN @@ -1,6 +1,6 @@ integer nres,nres0,nsup,nstart_sup,nend_sup,nstart_seq, - & ishift_pdb,chain_length,chain_border,ichanres,tabpermchain, - & nchain ,npermchain,ireschain,iz_sc + & ishift_pdb,chain_length,chain_border,chain_border1,ichanres, + & tabpermchain,nchain ,npermchain,ireschain,iz_sc double precision c,cref,crefjlee,dc,xloc,xrot,dc_norm,t,r,prod,rt, & rmssing,anatemp,chomo common /chain/ c(3,maxres2+2),dc(3,maxres2),xloc(3,maxres), @@ -11,7 +11,8 @@ & rmssing,anatemp,iz_sc,nsup, & nstart_sup,nend_sup,chain_length(maxchain),npermchain, & ireschain(maxres),tabpermchain(maxchain,maxperm), - & chain_border(2,maxchain),nchain,nstart_seq,ishift_pdb + & chain_border(2,maxchain),chain_border1(2,maxchain),nchain, + & nstart_seq,ishift_pdb double precision boxxsize,boxysize,boxzsize,enecut,sscut,sss, & sssgrad, & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick