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