wham Adam's changes

[unres.git] / source / wham / src-HCD-5D / initialize_p.F

diff --git a/source/wham/src-HCD-5D/initialize_p.F b/source/wham/src-HCD-5D/initialize_p.F
index baf3aa2..0cf093a 100644 (file)
--- a/source/wham/src-HCD-5D/initialize_p.F
+++ b/source/wham/src-HCD-5D/initialize_p.F
@@ -22,6 +22,7 @@ C
       include "COMMON.NAMES"
       include "COMMON.TIME1"
       include "COMMON.TORCNSTR"
+      include "COMMON.SETUP"
 C
 C The following is just to define auxiliary variables used in angle conversion
 C
@@ -183,7 +184,7 @@ C Initialize the bridge arrays
       do i=1,maxss
        iss(i)=0
       enddo
-      do i=1,maxdim
+      do i=1,maxdim_cont
        dhpb(i)=0.0D0
       enddo
       do i=1,maxres
@@ -237,6 +238,7 @@ C Set timers and counters for the respective routines
       n_viol = 0
       n_gviol = 0
       n_map = 0
+      nfgtasks = 1
 #ifndef SPLITELE
       nprint_ene=nprint_ene-1
 #endif
@@ -304,7 +306,7 @@ c-------------------------------------------------------------------------
 !           15      16      17      18      19       20       21
      &   "WHPB  ","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC",
 !           22      23      24      25      26       27       28
-     &   "WLIPTRAN","WAFM","WTHETC","WSHIELD","WSAXS","WHOMO","WDFAD",
+     &   "WLT     ","WAFM","WTHETC","WSHIELD","WSAXS","WHOMO","WDFAD",
 !           29      30      31   
      &   "WDFAT","WDFAN","WDFAB"/
       data ww0 /
@@ -396,7 +398,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.IOUNITS'
       include "COMMON.TORCNSTR"
       logical scheck,lprint
-      lprint=.false.
+      lprint=.true.
       do i=1,maxres
         nint_gr(i)=0
         nscp_gr(i)=0