X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Finitialize_p.F;h=f9b654dc2c38e305f850bc6ad1a50689131a801d;hb=5d105b25d75aede1abb6c9e1647e80e1f0678f8b;hp=71cb31dd0adc57b10c845d0e1100a7be217fac69;hpb=31ca5a6fc98dc369dc54be4b774d13d8275deacb;p=unres.git diff --git a/source/unres/src_CSA_DiL/initialize_p.F b/source/unres/src_CSA_DiL/initialize_p.F index 71cb31d..f9b654d 100644 --- a/source/unres/src_CSA_DiL/initialize_p.F +++ b/source/unres/src_CSA_DiL/initialize_p.F @@ -196,8 +196,8 @@ c call memmon_print_usage() do iblock=1,2 do j=-maxtor,maxtor do k=1,maxterm - v1(k,j,i)=0.0D0 - v2(k,j,i)=0.0D0 + v1(k,j,i,iblock)=0.0D0 + v2(k,j,i,iblock)=0.0D0 enddo enddo enddo @@ -275,9 +275,13 @@ c------------------------------------------------------------------------- include 'COMMON.NAMES' include 'COMMON.FFIELD' data restyp / + &'DD' ,'DPR','DLY','DAR','DHI','DAS','DGL','DSG','DGN','DSN','DTH', + &'DYY','DAL','DTY','DTR','DVA','DLE','DIL','DPN','MED','DCY','ZER', &'CYS','MET','PHE','ILE','LEU','VAL','TRP','TYR','ALA','GLY','THR', &'SER','GLN','ASN','GLU','ASP','HIS','ARG','LYS','PRO','D'/ data onelet / + &'z','p','k','r','h','d','e','n','q','s','t','g', + &'a','y','w','v','l','i','f','m','c','x', &'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'/