double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6,
&aa_lip,bb_lip,aa_aq,bb_aq,sc_aa_tube_par,sc_bb_tube_par,
- & pep_aa_tube,pep_bb_tube
+ & pep_aa_tube,pep_bb_tube,alpha_GB,alpha_GB1
integer expon,expon2
integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro,
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,
+ & pep_aa_tube,pep_bb_tube,alpha_GB,alpha_GB1,
& 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),
& iatsc_s,iatsc_e,iatel_s,iatel_e,iatel_s_vdw,iatel_e_vdw,
& iatscp_s,iatscp_e,ispp,iscp
C 3/26/20 Interaction lists
+C 10/26/20 Upgraded to interaction lists for RESPA
integer newcontlisti(maxint_res*maxres),
+ & newcontlisti_long(maxint_res*maxres),
+ & newcontlisti_short(maxint_res*maxres),
& newcontlistj(maxint_res*maxres),
+ & newcontlistj_long(maxint_res*maxres),
+ & newcontlistj_short(maxint_res*maxres),
& newcontlistppi(maxint_res*maxres),
& newcontlistppj(maxint_res*maxres),
- & newcontlistpp_vdwi(maxint_res*maxres),
- & newcontlistpp_vdwj(maxint_res*maxres),
+ & newcontlistpp_vdwi_short(maxint_res*maxres),
+ & newcontlistpp_vdwj_short(maxint_res*maxres),
& newcontlistscpi(2*maxint_res*maxres),
+ & newcontlistscpi_long(2*maxint_res*maxres),
+ & newcontlistscpi_short(2*maxint_res*maxres),
& newcontlistscpj(2*maxint_res*maxres),
+ & newcontlistscpj_long(2*maxint_res*maxres),
+ & newcontlistscpj_short(2*maxint_res*maxres),
& g_listscsc_start,g_listscsc_end,g_listpp_start,g_listpp_end,
- & g_listpp_vdw_start,g_listpp_vdw_end,g_listscp_start,g_listscp_end
- common /interact_list/newcontlisti,newcontlistj,g_listscsc_start,
- & g_listscsc_end,newcontlistppi,newcontlistppj,g_listpp_start,
- & g_listpp_end,newcontlistpp_vdwi,newcontlistpp_vdwj,
- & g_listpp_vdw_start,g_listpp_vdw_end,
- & newcontlistscpi,newcontlistscpj,g_listscp_start,
- & g_listscp_end
+ & g_listscp_start,g_listscp_end,
+ & g_listscsc_start_long,g_listscsc_end_long,
+ & g_listscp_start_long,g_listscp_end_long,
+ & g_listscsc_start_short,g_listscsc_end_short,
+ & g_listpp_vdw_start_short,g_listpp_vdw_end_short,
+ & g_listscp_start_short,g_listscp_end_short
+ common /interact_list/
+ & newcontlisti,newcontlisti_long,newcontlisti_short,
+ & newcontlistj,newcontlistj_long,newcontlistj_short,
+ & g_listscsc_start,g_listscsc_start_long,g_listscsc_start_short,
+ & g_listscsc_end,g_listscsc_end_long,g_listscsc_end_short,
+ & newcontlistppi,newcontlistppj,g_listpp_start,
+ & g_listpp_end,
+ & newcontlistpp_vdwi_short,
+ & newcontlistpp_vdwj_short,
+ & g_listpp_vdw_start_short,
+ & g_listpp_vdw_end_short,
+ & newcontlistscpi,newcontlistscpi_long,newcontlistscpi_short,
+ & newcontlistscpj,newcontlistscpj_long,newcontlistscpj_short,
+ & g_listscp_start,g_listscp_start_long,g_listscp_start_short,
+ & g_listscp_end,g_listscp_end_long,g_listscp_end_short
C 12/1/95 Array EPS included in the COMMON block.
double precision eps,epslip,sigma,sigmaii,rs0,chi,chip,alp,
& sigma0,sigii,
& aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),
& distchainmax,nbondterm(ntyp)
C 01/29/15 Lipidic parameters
- double precision pepliptran,liptranene,
+ double precision pepliptran,liptranene, lipscale,
&tubetranene, tubetranenepep
- common /lipid/ pepliptran,liptranene(ntyp)
+ common /lipid/ pepliptran,liptranene(ntyp),lipscale
common /tubepar/ tubetranene(ntyp), tubetranenepep