X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-NEWSC-NEWCORR%2Finclude_unres%2FCOMMON.INTERACT;fp=source%2Fwham%2Fsrc-NEWSC-NEWCORR%2Finclude_unres%2FCOMMON.INTERACT;h=9adbda47597f54c3db3bb8b8c030c57bec76a9a4;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=0000000000000000000000000000000000000000;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git diff --git a/source/wham/src-NEWSC-NEWCORR/include_unres/COMMON.INTERACT b/source/wham/src-NEWSC-NEWCORR/include_unres/COMMON.INTERACT new file mode 100644 index 0000000..9adbda4 --- /dev/null +++ b/source/wham/src-NEWSC-NEWCORR/include_unres/COMMON.INTERACT @@ -0,0 +1,38 @@ + double precision aa,bb,augm,aad,bad,app,bpp,ael6,ael3, + & chis,alphasur,sigmap1,sigmap2,alphiso,rborn,sigiso1,sigiso2, + & sig0head,epshead,wquad,dhead,dtail,wqdip,alphapol,wstate, + & epsintab,eps_out + + 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,nstate,icharge,expon,expon2 + common /interact/aa(ntyp,ntyp),bb(ntyp,ntyp),augm(ntyp,ntyp), + & chis(ntyp,ntyp),alphasur(4,ntyp,ntyp),sigmap1(ntyp,ntyp), + & sigmap2(ntyp,ntyp),alphiso(4,ntyp,ntyp),alphapol(ntyp,ntyp), + & rborn(ntyp,ntyp),sigiso1(ntyp,ntyp),sigiso2(ntyp,ntyp), + & epshead(ntyp,ntyp),wquad(ntyp,ntyp),dhead(2,2,ntyp,ntyp), + & dtail(2,ntyp,ntyp),wqdip(2,ntyp,ntyp),epsintab(ntyp,ntyp), + & eps_out,wstate(4,ntyp,ntyp),sig0head(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, + & ielstart(maxres),ielend(maxres),nscp_gr(maxres), + & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr), + & iatsc_s,iatsc_e,iatel_s,iatel_e,iatscp_s,iatscp_e,ispp,iscp, + & nstate(ntyp,ntyp) +C 12/1/95 Array EPS included in the COMMON block. + double precision eps,sigma,sigmaii,rs0,chi,chip,chip0,alp,sigma0, + & sigii,rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp, + & chipp,eps_orig + common /body/eps(ntyp,ntyp),sigma(0:ntyp,0:ntyp), + & sigmaii(ntyp,ntyp), + & rs0(ntyp,ntyp),chi(ntyp,ntyp),chipp(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),icharge(ntyp) +c 12/5/03 modified 09/18/03 Bond stretching parameters. + double precision vbldp0,vbldsc0,akp,aksc,abond0 + integer nbondterm + common /stretch/ vbldp0,vbldsc0(maxbondterm,ntyp),akp, + & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),nbondterm(ntyp)