[gmx-users] local pressure
jalemkul at vt.edu
Wed May 1 02:34:34 CEST 2013
On 4/30/13 8:01 PM, Sikandar Mashayak wrote:
> I found the branch of gromacs code called localpressure-4.0 at
> 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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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