Hi,
Just a minor point here: The AMBER12 manual is somewhat ambiguous about the
support of igb=8 in pmemd.
(Section 7.2)
Under "New functionality has been added to pmemd since the release of Amber
11. These include"
is listed:
"Generalized Born model igb=8 enabled"
Whereas under "Specifically the following functionality is missing
entirely:"
The following is still specified (which I presume is outdated):
"igb==6 or 8 In &cntrl. Gas phase (igb==6) simulations are not supported.
IGB model 8 is
not supported."
Presumably the latter should just be:
"igb==6 In &cntrl. Gas phase (igb==6) simulations are not supported."
Thanks,
Marc
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Received on Mon Sep 17 2012 - 03:30:02 PDT
