X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FCOMMON.INTERACT;h=8c4876dcaf72d39f61df3b1464514dd2f4590908;hb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;hp=34402394353702e05efd57b64f04d0385a3f142d;hpb=668a6244b981f429f4498f3b8e0ab34ab35d3984;p=unres.git diff --git a/source/unres/src-HCD-5D/COMMON.INTERACT b/source/unres/src-HCD-5D/COMMON.INTERACT index 3440239..8c4876d 100644 --- a/source/unres/src-HCD-5D/COMMON.INTERACT +++ b/source/unres/src-HCD-5D/COMMON.INTERACT @@ -22,14 +22,21 @@ & 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), + integer newcontlisti(maxint_res*maxres), + & newcontlistj(maxint_res*maxres), + & newcontlistppi(maxint_res*maxres), + & newcontlistppj(maxint_res*maxres), + & newcontlistpp_vdwi(maxint_res*maxres), + & newcontlistpp_vdwj(maxint_res*maxres), + & newcontlistscpi(2*maxint_res*maxres), + & newcontlistscpj(2*maxint_res*maxres), & g_listscsc_start,g_listscsc_end,g_listpp_start,g_listpp_end, - & g_listscp_start,g_listscp_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,newcontlistscpi,newcontlistscpj,g_listscp_start, + & g_listpp_end,newcontlistpp_vdwi,newcontlistpp_vdwj, + & g_listpp_vdw_start,g_listpp_vdw_end, + & newcontlistscpi,newcontlistscpj,g_listscp_start, & g_listscp_end C 12/1/95 Array EPS included in the COMMON block. double precision eps,epslip,sigma,sigmaii,rs0,chi,chip,alp,