ahmet yıldırım wrote:
Hi,
I've installed GROMACS 4.0.3 and MPI libraries using Ubuntu 9.04
Synaptic Package Manager. What else should I do?
I want to run a simulation in parallel on a single PC. Which commands
should I enter the terminal?
If I were you, I would uninstall this version (which is outdated by nearly 2
years!) and get version 4.5.1. Installing from source is quite easy. Not only
will you benefit from hundreds of bug fixes and enhancements, but running in
parallel on a multi-core machine is no longer MPI-dependent, making it somewhat
easier.
For usage and instructions, see the manual and any of the numerous tutorials
linked here:
http://www.gromacs.org/Documentation/Tutorials#General
-Justin
Thanks a lot for any instruction.
--
========================================
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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