From: Adam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Date: Wed, 11 May 2016 15:19:27 +0000 (+0200)
Subject: bug fix in energy src_MD-M
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=6a43e5b0b96312fbd7a91e640b944cf2a6fde302

bug fix in energy src_MD-M
---

diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F
index 6078e06..f7ff34c 100644
--- a/source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/source/unres/src_MD-M/energy_p_new_barrier.F
@@ -3636,6 +3636,7 @@ c        if ((zmedi.gt.((0.5d0)*boxzsize)).or.
 c     &       (zmedi.lt.((-0.5d0)*boxzsize))) then
 c        go to 196
 c        endif
+          xmedi=mod(xmedi,boxxsize)
           if (xmedi.lt.0) xmedi=xmedi+boxxsize
           ymedi=mod(ymedi,boxysize)
           if (ymedi.lt.0) ymedi=ymedi+boxysize