distance constraint energy calculation in wham

[unres4.git] / source / wham / io_wham.F90

diff --git a/source/wham/io_wham.F90 b/source/wham/io_wham.F90
index b6ee200..187502e 100644 (file)
--- a/source/wham/io_wham.F90
+++ b/source/wham/io_wham.F90
@@ -461,6 +461,7 @@ allocate(ww(max_eneW))
       wscloc=ww(12)
       wtor=ww(13)
       wtor_d=ww(14)
+      wstrain=ww(15)
       wvdwpp=ww(16)
       wbond=ww(18)
       wsccor=ww(19)
@@ -512,7 +513,7 @@ allocate(ww(max_eneW))
       weights(12)=wscloc
       weights(13)=wtor
       weights(14)=wtor_d
-      weights(15)=0 !wstrain !
+      weights(15)=wstrain !0
       weights(16)=wvdwpp !
       weights(17)=wbond
       weights(18)=0 !scal14 !