X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FCOMMON.INTERACT;h=9b023e5db82ce4dd3826062c34664591fc1b6427;hb=4627052ad84994541a6f518b197289553d91edc0;hp=34402394353702e05efd57b64f04d0385a3f142d;hpb=0dea4f7c62ab54c7dc3fb02cb11740c64a053142;p=unres.git

diff --git a/source/unres/src-HCD-5D/COMMON.INTERACT b/source/unres/src-HCD-5D/COMMON.INTERACT
index 3440239..9b023e5 100644
--- a/source/unres/src-HCD-5D/COMMON.INTERACT
+++ b/source/unres/src-HCD-5D/COMMON.INTERACT
@@ -22,15 +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
-      integer newcontlisti(200*maxres),newcontlistj(200*maxres),
-     & newcontlistppi(200*maxres),newcontlistppj(200*maxres),
-     & newcontlistscpi(200*maxres),newcontlistscpj(200*maxres),
+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_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_listscp_start,g_listscp_end
-      common /interact_list/newcontlisti,newcontlistj,g_listscsc_start,
-     & g_listscsc_end,newcontlistppi,newcontlistppj,g_listpp_start,
-     & g_listpp_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,
@@ -51,8 +81,8 @@ c 12/5/03 modified 09/18/03 Bond stretching parameters.
      & 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