X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CHAIN;fp=source%2Funres%2Fsrc_MD-M%2FCOMMON.CHAIN;h=84ebf1be3b742a9303f687cf63c6a930ba7b31fc;hb=8df996bdc4bc56846b3799e9a2d47c24a9273125;hp=777cc43c0b405d14819b995c402a011dbee21bf8;hpb=ad2687da4ea0c0ddde6c400a60c4817a689b3dff;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CHAIN b/source/unres/src_MD-M/COMMON.CHAIN index 777cc43..84ebf1b 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 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), @@ -14,5 +16,12 @@ & 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 + 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 + common /afm/ forceAFMconst, distafminit,afmend,afmbeg, + & velAFMconst, + & totTafm +