From: Jerome Karp (jerome.karp_at_med.einstein.yu.edu)
Date: Mon Sep 21 2015 - 10:49:42 CDT
Dear NAMD users,
I am looking to explore using the string method with swarms of trajectories
in NAMD 2.10, which is said to be included with this new release.
According to the paper associated with the method implementation (
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4059768/), the code should be
found in the /lib/replica subfolder. But I can't seem to find the relevant
code - I found code for replica exchange MD, umbrella sampling, and FEP,
but not the string method. Does its inclusion as a new feature in NAMD
2.10 mean that it's possible to script it but that template scripts for the
string method aren't yet included in the release, or is it included but I'm
looking in the wrong place?
Thank you for any assistance you can provide.
Sincerely,
Jerry Karp
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