source/unres/src_MD-M/xdrf2pdb/nazwy.f

   1       block data nazwy
   2       implicit real*8 (a-h,o-z)
   3       include 'DIMENSIONS'
   4       include 'COMMON.NAMES'
   5       include 'COMMON.FFIELD'
   6       data restyp /
   7      &'CYS','MET','PHE','ILE','LEU','VAL','TRP','TYR','ALA','GLY','THR',
   8      &'SER','GLN','ASN','GLU','ASP','HIS','ARG','LYS','PRO','D'/
   9       data onelet /
  10      &'C','M','F','I','L','V','W','Y','A','G','T',
  11      &'S','Q','N','E','D','H','R','K','P','X'/
  12       data potname /'LJ','LJK','BP','GB','GBV'/
  13       data ename /
  14      &   "EVDW SC-SC","EVDW2 SC-p","EES p-p","ECORR4 ","ECORR5 ",
  15      &   "ECORR6 ","EELLO ","ETURN3 ","ETURN4 ","ETURN6 ",
  16      &   "EBE bend","ESC SCloc","ETORS ","ETORSD ","EHPB ","EVDWPP ",
  17      &   "ESTR ","EVDW2_14 ","UCONST ", 2*""/
  18       data wname /
  19      &   "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC",
  20      &   "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD",
  21      &   "WSTRAIN","WVDWPP","WBOND","SCAL14",2*""/
  22       data nprint_ene /20/
  23       data print_order/1,2,3,11,12,13,14,4,5,6,7,8,9,10,18,15,17,16,20,
  24      & 2*0/
  25       end
  26