changes in wham

[unres.git] / source / wham / src-M / initialize_p.F

diff --git a/source/wham/src-M/initialize_p.F b/source/wham/src-M/initialize_p.F
index 9b03d11..5800580 100644 (file)
--- a/source/wham/src-M/initialize_p.F
+++ b/source/wham/src-M/initialize_p.F
@@ -249,6 +249,7 @@ c-------------------------------------------------------------------------
       include 'COMMON.NAMES'
       include 'COMMON.WEIGHTS'
       include 'COMMON.FFIELD'
+      include 'COMMON.SHIELD'
       data restyp /
      &'DD','DAU','DAI','DDB','DSM','DPR','DLY','DAR','DHI','DAS','DGL',
      & 'DSG','DGN','DSN','DTH',
@@ -267,18 +268,18 @@ c-------------------------------------------------------------------------
      &   "ECORR6 ","EELLO ","ETURN3 ","ETURN4 ","ETURN6 ",
      &   "EBE bend","ESC SCloc","ETORS ","ETORSD ","EHPB","EVDWPP",
      &   "EVDW2_14","ESTR","ESCCOR","EDIHC","EVDW_T","ELIPTRAN",
-     &   "EAFM","ETHETC"/
+     &   "EAFM","ETHETC","EMPTY"/
       data wname /
      &   "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC",
      &   "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD",
      &   "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC",
-     &   "WLIPTRAN","WAFM","WTHETC"/
+     &   "WLIPTRAN","WAFM","WTHETC","WSHIELD"/
       data ww0 /1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,
      &    1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,0.4d0,1.0d0,1.0d0,
-     &    0.0d0,0.0,0.0d0,0.0d0,0.0d0/
+     &    0.0d0,0.0,0.0d0,0.0d0,0.0d0,0.0d0/
       data nprint_ene /22/
       data print_order /1,2,3,18,11,12,13,14,4,5,6,7,8,9,10,19,
-     &  16,15,17,20,21,24,22,23/
+     &  16,15,17,20,21,24,22,23,1/
       end 
 c---------------------------------------------------------------------------
       subroutine init_int_table