X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Finclude_unres%2FCOMMON.INTERACT;h=7d6b59f40f3ed5a045975ee684a22e648837acee;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=d4a58b553c3a7c10fd97b79763c8da4fe57de6a3;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/wham/src-M/include_unres/COMMON.INTERACT b/source/wham/src-M/include_unres/COMMON.INTERACT index d4a58b5..7d6b59f 100644 --- a/source/wham/src-M/include_unres/COMMON.INTERACT +++ b/source/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, @@ -12,15 +14,23 @@ C 12/1/95 Array EPS included in the COMMON block. double precision eps,sigma,sigmaii,rs0,chi,chip,chip0,alp,signa0, & sigii,sigma0,rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp, - & eps_orig + & eps_orig,epslip common /body/eps(ntyp,ntyp),sigma(ntyp,ntyp),sigmaii(ntyp,ntyp), + &epslip(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), - & eps_scp(20,2),rscp(20,2),eps_orig(ntyp,ntyp) + & eps_scp(ntyp,2),rscp(ntyp,2),eps_orig(ntyp,ntyp) c 12/5/03 modified 09/18/03 Bond stretching parameters. double precision vbldp0,vbldsc0,akp,aksc,abond0,distchainmax + &,vbldpDUM integer nbondterm common /stretch/ vbldp0,vbldsc0(maxbondterm,ntyp),akp, & 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) + +