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bug fix in energy src_MD-M
[unres.git]
/
source
/
unres
/
src_MD-M
/
energy_p_new_barrier.F
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
(file)
--- 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