Merge branch 'bartek2' into bartek

[unres.git] / source / unres / src_CSA_DiL / initialize_p.F

diff --git a/source/unres/src_CSA_DiL/initialize_p.F b/source/unres/src_CSA_DiL/initialize_p.F
index bde8c8f..4c23815 100644 (file)
--- a/source/unres/src_CSA_DiL/initialize_p.F
+++ b/source/unres/src_CSA_DiL/initialize_p.F
@@ -200,8 +200,8 @@ 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
@@ -279,9 +279,13 @@ 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'/