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=f94a51bd9cd868d2fc7e6a9ca664550705d46b9c;hpb=4d4be87fb43102a6a5be442699a953ef327ecbde;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.INTERACT b/source/unres/src_MD-M/COMMON.INTERACT index f94a51b..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,dcavtub,acavtub,bcavtub,ccavtub + & 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/ @@ -16,7 +17,8 @@ & aa_lip(ntyp,ntyp),bb_lip(ntyp,ntyp), & sc_aa_tube_par(ntyp),sc_bb_tube_par(ntyp), & pep_aa_tube,pep_bb_tube,acavtub(ntyp),dcavtub(ntyp), - & bcavtub(ntyp),ccavtub(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),