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
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