X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fnames.f90;h=dc8b2e1f540ac5e31170ca4092b1f3e9ee2698d6;hb=a30537f5834fb1220b66036bc509bb3ab46dac7a;hp=cb3f2f955544b3ab8f59b3153717b5a18eb7712a;hpb=04d0eb23476c67cc0cadc32bf09aa91c03e2dc15;p=unres4.git diff --git a/source/unres/data/names.f90 b/source/unres/data/names.f90 index cb3f2f9..dc8b2e1 100644 --- a/source/unres/data/names.f90 +++ b/source/unres/data/names.f90 @@ -59,7 +59,7 @@ !----------------------------------------------------------------------------- !----------------------------------------------------------------------------- ! Number of energy components - integer,parameter :: n_ene=38 + integer,parameter :: n_ene=49 integer :: n_ene2=2*n_ene !----------------------------------------------------------------------------- ! common.names @@ -86,7 +86,9 @@ "ELT "," "," ","ETUBE ",& "EVDWPP ","EESPP ","EVDWPSB ","EESPSB ","EVDWSB ",& "EESSB ","ESTR ","EBE ","ESBLOC ","ETORS ",& - "ETORSD ","ECORR ","ECORR3 " /) + "ETORSD ","ECORR ","ECORR3 ","NULL ","NULL ",& + "ECATPROT ","ECATCAT ","NULL ","NULL ","NULL ",& + "ESCBASE ","EPEPBASE ","ESCPHO ","EPEPPHO "/) character(len=10),dimension(n_ene) :: wname = & (/"WSC ","WSCP ","WELEC" ,"WCORR ","WCORR5 ","WCORR6 ","WEL_LOC ",& @@ -95,12 +97,15 @@ "WLT "," "," ","WTUBE " ,& "WVDWPP ","WELPP ","WVDWPSB ","WELPSB ","WVDWSB ",& "WELSB ","WBOND ","WANG ","WSBLOC ","WTOR ",& - "WTORD ","WCORR ","WCORR3 "/) + "WTORD ","WCORR ","WCORR3 ","WNULL ","WNULL ",& + "WCATPROT ","WCATCAT ","WNULL ","WNULL ","WNULL ",& + "WSCBASE ","WPEPBASE ","WSCPHO ","WPEPPH O "/) integer :: nprint_ene = 21 integer,dimension(n_ene) :: print_order = & (/1,2,3,18,11,12,13,14,4,5,6,7,8,9,10,19,16,15,17,20,21,22,23,24,25,& - 26,27,28,29,30,31,32,33,34,35,36,37,38/) + 26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,& + 48,49/) character(len=1), dimension(2) :: sugartyp = (/'D',' '/) !#endif