[gmx-users] local pressure calcuation for Gromacs-4.5

[Justin A. Lemkul]

Amit Choubey wrote:
> Thanks Justin, I tried to install the recent git version but the 
> configure file is missing. How should I install this version ?
> 

Run the bootstrap script.  It generates the configure script.

-Justin

> 
> On Thu, Jun 9, 2011 at 12:45 PM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto:jalemkul at vt.edu>> wrote:
> 
> 
> 
>     Amit Choubey wrote:
> 
>         Dear all,
> 
>         I saw an unanswered post at
>         http://lists.gromacs.org/pipermail/gmx-users/2011-January/058063.html
> 
>         It is about calculating local pressure in v 4.5 when using
>         CHARMM FF. Could someone give me some pointers about this?
> 
> 
>     I don't know what the development status of version 4.5 is, but you
>     can access it at:
> 
>     http://repo.or.cz/w/gromacs.git/shortlog/refs/heads/release-4-5-localpressure
> 
>     It hasn't been merged with release-4-5-patches in some time, so many
>     resolved bugs won't be fixed.
> 
>     -Justin
> 
>     -- 
>     ========================================
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     <tel:%28540%29%20231-9080>
>     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
>     ========================================
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================