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Even installing requires a minimum Gromacs environment. This is annoying.
GromacsWrapper should "lazy-load" the gromacs tools (and their documentation) and not require them when just doing
import g…
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Hi Oliver,
I wanted to try GW out -- in order to parse xvg files -- to plot the things with matplotlib. But my gromacs is built with
```
./configure --prefix=$HOME/cmp/soft/sft/gromacs-4.5.5-double…
bk322 updated
11 years ago
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I get this error message when running the command gromacs.g_traj in a python script:
Traceback (most recent call last):
File "run.py", line 32, in
gromacs.g_traj(f=MOL+"-md.trj", s=MOL+"-md.tp…
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Because the version number is obtained by importing `gromacs.config`, this can fail if `numpy` is not available. This is bad because then easy_install will not be able to get numpy.
Traceback (most r…