Re: Namd 2.6 on ubuntu 9.10

From: Nicholas Musolino (musolino_at_mit.edu)
Date: Wed Jul 28 2010 - 16:16:30 CDT

On Jul 28, 2010, at 3:22 PM, oguz gurbulak wrote:

> Dear Namd users,
>
> I want to install Namd 2.6 software package on ubuntu 9.10 . I searched for Namd installation on ubuntu but couldn’t find any information. So could you please help me to learn the installation process ?
>
> Kind regards

Dear Oguz:

Ubuntu makes it pretty simple to install most software, using package managers or, in version 10.04, the new Software Center.

NAMD, like much scientific software, isn't quite as simple as that to install. The general approach to installing it is to unarchive the downloaded file, then "configure, make, and make install," after pointing certain configuration files to the right software on your computer.

But have you visited this page to download the appropriate files, un-tar them, and open the README file?
http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD
There's also a lot of information on the NAMD WIKI: http://www.ks.uiuc.edu/Research/namd/wiki/

Before going further, why don't you check what architecture your computer uses (x86, x86_64, Itanium, etc) using the "arch" command, and try one of the pre-compiled binaries. Do you plan on using some version of MPI to do parallel simulations? Are you using a desktop or some version of Ubuntu on a multi-computer cluster (which would be news to me)?

Finally, since someone else might ask, any reason you want to use NAMD 2.6 instead of the current NAMD 2.7b2?

Hope this will point you in the right direction!

best regards,
Nicholas Musolino

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