X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Finclude_unres%2FCOMMON.INTERACT;h=1c0b8dbc47d552644681191216555a587fb1deeb;hp=0db889533701218c3b5c4c12630ff50719bd21a3;hb=48f04f24e913a3e10867d2038b30efcd48a60a9f;hpb=4ed0b0657cdb9599bd714a010134061c94f509cc diff --git a/source/cluster/wham/src-M/include_unres/COMMON.INTERACT b/source/cluster/wham/src-M/include_unres/COMMON.INTERACT index 0db8895..1c0b8db 100644 --- a/source/cluster/wham/src-M/include_unres/COMMON.INTERACT +++ b/source/cluster/wham/src-M/include_unres/COMMON.INTERACT @@ -1,8 +1,10 @@ - double precision aa,bb,augm,aad,bad,app,bpp,ael6,ael3 + double precision aa_aq,bb_aq,augm,aad,bad,app,bpp,ael6,ael3, + & aa_lip,bb_lip integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro,ielstart, & ielend,nscp_gr,iscpstart,iscpend,iatsc_s,iatsc_e,iatel_s, & iatel_e,iatscp_s,iatscp_e,ispp,iscp,expon,expon2 - common /interact/aa(ntyp,ntyp),bb(ntyp,ntyp),augm(ntyp,ntyp), + common /interact/aa_aq(ntyp,ntyp),bb_aq(ntyp,ntyp), + & augm(ntyp,ntyp),aa_lip(ntyp,ntyp),bb_lip(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), & iend(maxres,maxint_gr),itype(maxres),itel(maxres),itypro, @@ -10,10 +12,12 @@ & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr), & iatsc_s,iatsc_e,iatel_s,iatel_e,iatscp_s,iatscp_e,ispp,iscp C 12/1/95 Array EPS included in the COMMON block. - double precision eps,sigma,sigmaii,rs0,chi,chip,chip0,alp,signa0, + double precision eps,epslip,sigma,sigmaii,rs0,chi,chip,chip0, + & alp,signa0, & sigii,sigma0,rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp, & eps_orig - common /body/eps(ntyp,ntyp),sigma(ntyp,ntyp),sigmaii(ntyp,ntyp), + common /body/eps(ntyp,ntyp),epslip(ntyp,ntyp), + & sigma(ntyp,ntyp),sigmaii(ntyp,ntyp), & rs0(ntyp,ntyp),chi(ntyp,ntyp),chip(ntyp),chip0(ntyp),alp(ntyp), & sigma0(ntyp),sigii(ntyp),rr0(ntyp),r0(ntyp,ntyp),r0e(ntyp,ntyp), & r0d(ntyp,2),rpp(2,2),epp(2,2),elpp6(2,2),elpp3(2,2), @@ -26,3 +30,7 @@ c 12/5/03 modified 09/18/03 Bond stretching parameters. & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp), & distchainmax,nbondterm(ntyp) &,vbldpDUM +C 01/29/15 Lipidic parameters + double precision pepliptran,liptranene + common /lipid/ pepliptran,liptranene(ntyp) +