From 6a43e5b0b96312fbd7a91e640b944cf2a6fde302 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Wed, 11 May 2016 17:19:27 +0200 Subject: [PATCH] bug fix in energy src_MD-M --- source/unres/src_MD-M/energy_p_new_barrier.F | 1 + 1 file changed, 1 insertion(+) 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 -- 1.7.9.5