From: Klas Karis (karis.klas_at_gmail.com)
Date: Mon Apr 13 2015 - 12:02:25 CDT
Hi NAMD users,
reading on the home page of the PACE CG BUILDER:
there is a statement saying that "For lipid-only system, NAMD 2.10 or
nightly build version is required to calculate the MARTINI Lennard-Jones
switching energy correctly (NAMD 2.9 has a bug in the switching energy)."
I have tried to find any type of documentation regarding this error, wide
internet searches and detailed search in the NAMD-L archive, without
I'm a heavy user of the Martini force field and I have used NAMD 2.x for
x=8,9,10 to run my systems so I would very much like to know more about
this bug. Since I use several computer clusters for my simulations I don't
always have the privilege of choosing my version of NAMD, but hopefully
with proper documentation I can persuade the administrators of the clusters
to update to NAMD 2.10.
Does anyone know about documentation of this "bug in the switching energy"
for the Martini force field for NAMD 2.9 as it's called on the CHARMM-GUI
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