From: Mihaela Drenscko (quo.physics_at_gmail.com)
Date: Fri Jan 06 2017 - 20:24:46 CST
Hi,
When I run namd with multiple replicas metadynamics, I don't get files
outputwq.colvars.name.replicaID.state and
outputwq.colvars.name.replicaId.hills, where outputwq is the name of each
outputName. Instead, the paths of these file are written in a file called
metadynamics1.outputwq.files, text:
/.colvars.metadynamics1.1.state
/.colvars.metadynamics1.1.hills
These files should read outputwq.metadynamics1.1.state and
outputwq.metadynamics1.1.hills, according to:
http://www.ks.uiuc.edu/Research/namd/cvs/ug/node58.html#sec:colvarbias_meta
So these files can't be read by other replicas and pmfs can't be combine
into one. All i get are partila pmf, from each replica.
Any suggestions, what is wrong? Why .state and .hills files are not written
with outputName prefixes, without the need foe their paths to be written in
afile?
Thank you,
Mihaela
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