From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Thu, 23 Feb 2017 05:31:50 +0000 (+0100)
Subject: numerical gradient delta 10e-4
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=4240fc4a730e3ccb188915a928248273e25333d1;p=unres4.git

numerical gradient delta 10e-4
---

diff --git a/source/unres/energy.f90 b/source/unres/energy.f90
index 7960906..2fdb065 100644
--- a/source/unres/energy.f90
+++ b/source/unres/energy.f90
@@ -10268,7 +10268,7 @@
 !      call intcartderiv
 !      call checkintcartgrad
       call zerograd
-      aincr=1.0D-5
+      aincr=1.0D-4
       write(iout,*) 'Calling CHECK_ECARTINT.'
       nf=0
       icall=0