On 6/4/12 2:59 PM, Shay Teaching wrote:
Dear Gromacs users,
I want to write new analyses for gromacs and compile it (so I'll have
g_whatever) as part of the gromacs package.
Per the instructions I found on gromacs website, I installed kdevelop and opened
the gromacs as a project using kdevelop. However I have two questions:
1) When I try to compile gromacs source, through kdevelop, I get a "permission
denied" error. I think it is because gromacs installation requires root
privileges. Any suggestions on how to bypass that, so I won't have to use
kdevelop as root (which is a *really* bad idea)? (e.g., installing gromacs
without root?)
Assuming you're trying to compile template.c in some system-level directory,
you're certain to run into that problem. Compile in a different location.
2) Are there any guidelines for writing new g_whatever analyses? Or any general
suggestions on how to approach it?
Write good code? ;) I don't really know what you're asking here, but if you
want pointers for writing code, you'll need to at least state what you're doing.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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