X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fenergy_data.f90;h=97b773c9f661e51341408df056b1fb4e2d7a247b;hb=be88012a10963b6e6513e8d7e83b5ed856d2a623;hp=44e3d3052ec05a42eadcd40b27d6065407c7f27e;hpb=04d0eb23476c67cc0cadc32bf09aa91c03e2dc15;p=unres4.git diff --git a/source/unres/data/energy_data.f90 b/source/unres/data/energy_data.f90 index 44e3d30..97b773c 100644 --- a/source/unres/data/energy_data.f90 +++ b/source/unres/data/energy_data.f90 @@ -208,7 +208,8 @@ ilip_start,ilip_end,itube_start,itube_end integer :: ibond_nucl_start,ibond_nucl_end,iphi_nucl_start,& iphi_nucl_end,iphid_nucl_start,iphid_nucl_end,& - ibondp_nucl_start,ibondp_nucl_end,ithet_nucl_start,ithet_nucl_end + ibondp_nucl_start,ibondp_nucl_end,ithet_nucl_start,ithet_nucl_end,& + loc_start_nucl,loc_end_nucl integer,dimension(:),allocatable :: ibond_displ,ibond_count,& ithet_displ,ithet_count,iphi_displ,iphi_count,iphi1_displ,& iphi1_count,ivec_displ,ivec_count,iset_displ,iset_count,& @@ -262,6 +263,8 @@ ! Parameters of the SC rotamers (local) term ! common/scrot/ real(kind=8),dimension(:,:),allocatable :: sc_parmin !(maxsccoef,ntyp) + real(kind=8),dimension(:,:),allocatable :: sc_parmin_nucl !(maxsccoef,ntyp) + !----------------------------------------------------------------------------- ! common.torcnstr ! common /torcnstr/