X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.INTERACT;h=f7ba255a80afdf026ced7d699cde993e3c00d997;hb=9a26354af2c68a12347d7f85ad158e3ba22fdd7d;hp=be18ffee9490bd19f1eae135804864975b7655a7;hpb=bde71ffff7527add147c1bee4bad23f02b4d1ab7;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.INTERACT b/source/unres/src_MD-M/COMMON.INTERACT index be18ffe..f7ba255 100644 --- a/source/unres/src_MD-M/COMMON.INTERACT +++ b/source/unres/src_MD-M/COMMON.INTERACT @@ -1,6 +1,7 @@ double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6, &aa_lip,bb_lip,aa_aq,bb_aq,sc_aa_tube_par,sc_bb_tube_par, - & pep_aa_tube,pep_bb_tube + & pep_aa_tube,pep_bb_tube,dcavtub,acavtub,bcavtub,ccavtub, + & dcavtubpep,acavtubpep,bcavtubpep,ccavtubpep double precision wdti,wdti2,wdti4,wdti8, & wdtii,wdtii2,wdtii4,wdtii8 common /nosehoover_dt/ @@ -15,7 +16,9 @@ common /interact/aa_aq(ntyp,ntyp),bb_aq(ntyp,ntyp), & aa_lip(ntyp,ntyp),bb_lip(ntyp,ntyp), & sc_aa_tube_par(ntyp),sc_bb_tube_par(ntyp), - & pep_aa_tube,pep_bb_tube, + & pep_aa_tube,pep_bb_tube,acavtub(ntyp),dcavtub(ntyp), + & bcavtub(ntyp),ccavtub(ntyp),acavtubpep,dcavtubpep, + & bcavtubpep,ccavtubpep, & augm(ntyp,ntyp), & aad(ntyp,2),bad(ntyp,2),app(2,2),bpp(2,2),ael6(2,2),ael3(2,2), & expon,expon2,nnt,nct,nint_gr(maxres),istart(maxres,maxint_gr),