X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CHAIN;h=372fa85b9f9986351f671a10ea9e25ef189cb793;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=c33eaee90b523a6681efb60617067794d8535647;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CHAIN b/source/unres/src_MD-M/COMMON.CHAIN index c33eaee..372fa85 100644 --- a/source/unres/src_MD-M/COMMON.CHAIN +++ b/source/unres/src_MD-M/COMMON.CHAIN @@ -1,9 +1,12 @@ 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 + & 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), & 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 +16,16 @@ & 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, + & tubecenter,tubeR0, + & buftubebot, buftubetop,bordtubebot,bordtubetop,tubebufthick + common /box/ boxxsize,boxysize,boxzsize,enecut,sscut,sss,sssgrad, + & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick + common /afm/ forceAFMconst, distafminit,afmend,afmbeg, + & velAFMconst, + & totTafm + common /tube/ tubecenter(3),tubeR0, + & buftubebot, buftubetop,bordtubebot,bordtubetop,tubebufthick +