X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M-newcorr%2FCOMMON.INTERACT;fp=source%2Funres%2Fsrc_MD-M-newcorr%2FCOMMON.INTERACT;h=83af3fb65132f509f0f8384152d8b66871f3591c;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0000000000000000000000000000000000000000;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/unres/src_MD-M-newcorr/COMMON.INTERACT b/source/unres/src_MD-M-newcorr/COMMON.INTERACT new file mode 100644 index 0000000..83af3fb --- /dev/null +++ b/source/unres/src_MD-M-newcorr/COMMON.INTERACT @@ -0,0 +1,31 @@ + double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6 + integer expon,expon2 + integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro, + & ielstart,ielend,ielstart_vdw,ielend_vdw,nscp_gr,iscpstart, + & iscpend,iatsc_s,iatsc_e, + & iatel_s,iatel_e,iatscp_s,iatscp_e,iatel_s_vdw,iatel_e_vdw, + & ispp,iscp + common /interact/aa(ntyp,ntyp),bb(ntyp,ntyp),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), + & iend(maxres,maxint_gr),itype(maxres),itel(maxres),itypro, + & ielstart(maxres),ielend(maxres),ielstart_vdw(maxres), + & ielend_vdw(maxres),nscp_gr(maxres), + & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr), + & iatsc_s,iatsc_e,iatel_s,iatel_e,iatel_s_vdw,iatel_e_vdw, + & 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,alp,sigma0,sigii, + & rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp + common /body/eps(ntyp,ntyp),sigma(0:ntyp1,0:ntyp1), + & sigmaii(ntyp,ntyp), + & rs0(ntyp,ntyp),chi(ntyp,ntyp),chip(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(ntyp,2), + & rscp(ntyp,2) +c 12/5/03 modified 09/18/03 Bond stretching parameters. + double precision vbldp0,vbldsc0,akp,aksc,abond0,distchainmax + integer nbondterm + common /stretch/ vbldp0,vbldsc0(maxbondterm,ntyp),akp, + & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp), + & distchainmax,nbondterm(ntyp)