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

[Justin A. Lemkul]

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

-- 
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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

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