X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CHAIN;h=777cc43c0b405d14819b995c402a011dbee21bf8;hb=0bb81c1c3180a2079d70af7dd534295e1e0b1e4c;hp=c33eaee90b523a6681efb60617067794d8535647;hpb=cf8288d8ea7c198fbc3d99c3c49f1ace8c4b8825;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CHAIN b/source/unres/src_MD-M/COMMON.CHAIN index c33eaee..777cc43 100644 --- a/source/unres/src_MD-M/COMMON.CHAIN +++ b/source/unres/src_MD-M/COMMON.CHAIN @@ -1,9 +1,10 @@ integer nres,nsup,nstart_sup,nz_start,nz_end,iz_sc, & nres0,nstart_seq,chain_length,iprzes,tabperm,nperm double precision c,dc,dc_old,d_c_work,xloc,xrot,dc_norm,t,r, - & prod,rt,dc_work,cref,crefjlee,chain_rep + & 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), & xloc(3,maxres),xrot(3,maxres),dc_norm(3,0:maxres2), + & dc_norm2(3,0:maxres2), & dc_work(MAXRES6),nres,nres0 common /rotmat/ t(3,3,maxres),r(3,3,maxres),prod(3,3,maxres), & rt(3,3,maxres) @@ -13,3 +14,5 @@ & 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 + common /box/ boxxsize,boxysize,boxzsize,enecut,sscut,sss,sssgrad