X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CHAIN;h=753b8326fa394fecbadbaa4955dbd37df6679d2d;hb=9d8588f32fbe4f5f14eb08b566080f9b74d3696c;hp=f3438874df594e87f554252e7e2bf5ceac3408dd;hpb=149383c65d245f0628668c5c5fa4a1bc76a48839;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CHAIN b/source/unres/src_MD-M/COMMON.CHAIN index f343887..753b832 100644 --- a/source/unres/src_MD-M/COMMON.CHAIN +++ b/source/unres/src_MD-M/COMMON.CHAIN @@ -1,7 +1,9 @@ integer nres,nsup,nstart_sup,nz_start,nz_end,iz_sc, - & nres0,nstart_seq,chain_length,iprzes,tabperm,nperm + & nres0,nstart_seq,chain_length,iprzes,tabperm,nperm,afmend, + & afmbeg double precision c,dc,dc_old,d_c_work,xloc,xrot,dc_norm,t,r, - & prod,rt,dc_work,cref,crefjlee,chain_rep,dc_norm2 + & prod,rt,dc_work,cref,crefjlee,chain_rep,dc_norm2,velAFMconst, + & totTafm,chomo 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), @@ -14,3 +16,13 @@ & 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, + & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick + common /box/ boxxsize,boxysize,boxzsize,enecut,sscut,sss,sssgrad, + & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick + double precision forceAFMconst, distafminit + common /afm/ forceAFMconst, distafminit,afmend,afmbeg, + & velAFMconst, + & totTafm + common /chomo_models/ chomo(3,maxres2+2,max_template)