From: jc guo (guojc123_at_gmail.com)
Date: Mon Oct 19 2015 - 02:09:43 CDT
Dear NAMD users,
Could anyone give me a short explanation of this three command:
replicaBarrier, replicaSend *data dest, *replicaRecv *source*
In lib\replica\replica.namd, we have
set pot2 [replicaRecv $replica(loc.$swap)]
and
set doswap [expr $delta < 0. || exp(-1. * $delta) > rand()]
replicaSend $doswap $replica(loc.$swap)
replicaSend $POTENTIAL $replica(loc.$swap)
I was confused that what data relicaSend and replicaRecv will send/receive
from replicaID（like why potential will receive? is it receive all data
generate by another replica) ? and *where* we use replicaBarrier?
Thanks for any help.
JC
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