X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2FCOMMON.CHAIN;h=6b453afef8f8c7503d180f380c05835e3a0353ec;hb=68aa1d135805a14583695611acfcf637748b4466;hp=dfffc78565c9cc31f90441781fad41e5f32a949e;hpb=df61eb1a0ad598d7c6c5b4037dee4bec200d5bc2;p=unres.git diff --git a/source/wham/src-HCD/COMMON.CHAIN b/source/wham/src-HCD/COMMON.CHAIN index dfffc78..6b453af 100644 --- a/source/wham/src-HCD/COMMON.CHAIN +++ b/source/wham/src-HCD/COMMON.CHAIN @@ -1,9 +1,9 @@ integer nres,nres0,nsup,nstart_sup,nend_sup,nstart_seq, & ishift_pdb,chain_length,chain_border,chain_border1,ichanres, - & tabpermchain,nchain ,npermchain,ireschain,iz_sc + & tabpermchain,nchain ,npermchain,ireschain,iz_sc,nres_chomo 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), + common /chain/ c(3,maxres2+2),dc(3,0: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) @@ -18,4 +18,5 @@ & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick common /box/ boxxsize,boxysize,boxzsize,enecut,sscut,sss,sssgrad, & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick - common /chomo_models/ chomo(3,maxres2+2,max_template) + common /chomo_models/ chomo(3,maxres2+2,max_template), + & nres_chomo(max_template)