X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fxdrf2pdb%2Fnazwy.f;fp=source%2Funres%2Fsrc_MD-M%2Fxdrf2pdb%2Fnazwy.f;h=0000000000000000000000000000000000000000;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=f21bb965d8dd4490db6c0da3b24b6da99a787719;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/source/unres/src_MD-M/xdrf2pdb/nazwy.f b/source/unres/src_MD-M/xdrf2pdb/nazwy.f deleted file mode 100644 index f21bb96..0000000 --- a/source/unres/src_MD-M/xdrf2pdb/nazwy.f +++ /dev/null @@ -1,26 +0,0 @@ - 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 -