On 4/30/13 8:01 PM, Sikandar Mashayak wrote:
Hi
I found the branch of gromacs code called localpressure-4.0 at
http://redmine.gromacs.org/projects/gromacs/repository/show?rev=localpressure-4-0.
I am wondering whether this code can compute the spatial variation of
pressure in given system. And if it does, how stable is this branch? Are
there any known issues with it? And any particular reason this is not
included in main gromacs releases?
Lack of documentation has made it very difficult to use, it is extremely slow,
and no one ever asks about it except once every few years. All of those factors
make it unlikely to ever incorporate into an actual release. Given that the
development process has gone on for years in the absence of any real interest in
the localpressure branch, it's probably more trouble than it's worth to get it
up and running effectively.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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