X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.INTERACT;h=be18ffee9490bd19f1eae135804864975b7655a7;hb=8b7bd55106cb32f11fb7c86538f8f18f2f8aff5f;hp=448e829ebe65f079097d16ee22d49348e1f9e3c2;hpb=2c88a4ebbc7bb7ec866600a9cf8524236c4db394;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.INTERACT b/source/unres/src_MD-M/COMMON.INTERACT index 448e829..be18ffe 100644 --- a/source/unres/src_MD-M/COMMON.INTERACT +++ b/source/unres/src_MD-M/COMMON.INTERACT @@ -1,5 +1,11 @@ double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6, - &aa_lip,bb_lip,aa_aq,bb_aq + &aa_lip,bb_lip,aa_aq,bb_aq,sc_aa_tube_par,sc_bb_tube_par, + & pep_aa_tube,pep_bb_tube + double precision wdti,wdti2,wdti4,wdti8, + & wdtii,wdtii2,wdtii4,wdtii8 + common /nosehoover_dt/ + & wdti(maxyosh),wdti2(maxyosh),wdti4(maxyosh),wdti8(maxyosh), + & wdtii(maxyosh),wdtii2(maxyosh),wdtii4(maxyosh),wdtii8(maxyosh) integer expon,expon2 integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro, & ielstart,ielend,ielstart_vdw,ielend_vdw,nscp_gr,iscpstart, @@ -8,6 +14,8 @@ & ispp,iscp 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, & 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), @@ -37,6 +45,8 @@ c 12/5/03 modified 09/18/03 Bond stretching parameters. & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp), & distchainmax,nbondterm(ntyp) C 01/29/15 Lipidic parameters - double precision pepliptran,liptranene + double precision pepliptran,liptranene, + &tubetranene, tubetranenepep common /lipid/ pepliptran,liptranene(ntyp) + common /tubepar/ tubetranene(ntyp), tubetranenepep