X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FCOMMON.INTERACT;h=2a553930ab9cb0a984acfe050715d0d22b37b114;hb=34afc6bc75a1158d5a5a7f08c5a7d84c8c1fb7c4;hp=14416adc14162223a8dc19db4572041d67032bcb;hpb=041d784829a503b7d6fb6de2bf7249685132274b;p=unres.git

diff --git a/source/unres/src-HCD-5D/COMMON.INTERACT b/source/unres/src-HCD-5D/COMMON.INTERACT
index 14416ad..2a55393 100644
--- a/source/unres/src-HCD-5D/COMMON.INTERACT
+++ b/source/unres/src-HCD-5D/COMMON.INTERACT
@@ -1,6 +1,6 @@
       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,
@@ -11,7 +11,7 @@
       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),
@@ -22,22 +22,45 @@
      & 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,