Hi,
On Fri, Apr 12, 2013 at 08:31:14AM -0400, David A Case wrote:
> You can get the third release candidate for AmberTools13 here:
>
> http://ambermd.org/downloads/AmberTools13.12apr13.tar.bz2
>
> OR, use "git pull" to update the amber13-with-patches branch of your git repo.
>
> There are very few changes from the previous RC. Almost no one (aside from
> Dan...thanks!) responded to the last request to update the Reference Manual.
> There is still time for this...but not much!
Here is a snippet that needs at least a noun in the last sentence:
When using the implicit membrane model, only SASOPT = 2, i.e.
the smooth molecular surface based on the revised density function, is
currently supported.
It is also suggested that periodic boundary conditions be used.
This is currently supported under the conjugate gradient solvers: Periodic
Conjugate Gradient (PCG) and Periodic Incomplete Cholesky Conjugate Gradient
(PICCG).
is used to avoid any unphysical edge effect.
scott
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Received on Sat Apr 13 2013 - 01:00:03 PDT
