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

Justin A. Lemkul jalemkul at vt.edu
Thu Jun 9 21:45:15 CEST 2011



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 | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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



More information about the gromacs.org_gmx-users mailing list