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(parent: 4d200dc) | patch
Fixed minor issue with replica exchange
authorMark Abraham <Mark.J.Abraham@gmail.com>
Wed, 2 Feb 2011 04:48:20 +0000 (15:48 +1100)
committerMark Abraham <Mark.J.Abraham@gmail.com>
Wed, 2 Feb 2011 04:48:20 +0000 (15:48 +1100)
commit4d5a539686b6c5b48a21d407ff4bf60104466a99
tree9ae7221bf48f0d2ad146a322775d493e443a9060tree | snapshot
parent4d200dc02260805cbcf8ce0fad0bca682e13f946commit | diff
Fixed minor issue with replica exchange

If the user chose mdrun -replex that was not a multiple of
nstcalcenergy, then replica exchange could occur when energies were
not current. Fixed by requiring repl_ex_nst to be a multiple of
nstcalcenergy, as with similar mechanisms for global
intra-simulation communication.

IssueID #695
src/kernel/md.c diff | blob | history
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