[gmx-users] Writing and compiling new analyses for gromacs

Shay Teaching shay.teaching at gmail.com
Mon Jun 4 20:59:13 CEST 2012

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
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?)
2) Are there any guidelines for writing new g_whatever analyses? Or any
general suggestions on how to approach it?

Thanks a bunch,
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