[gmx-users] Basic Understanding about Gromacs C library

[Murilo Kramar]

Greetings, List,

I have a set of data that I used to analyze through VMD. As the set is
quite heavy and there are many of them, using VMD was a bit cumbersome. So
it has been decided that working in GROMACS would present benefits.

The first step that I executed was to compile via CentOs terminal  the
'template.c' that comes with GROMACS 4.6.3 (the version that my group works
with) in order to get used to its programming style. When it executes there
is a 'header' telling some basic info about  the program (such as
command-line options used) and after that  I'm inquired to make selections
(to fill the -select option) . Where does this header come from? I'm pretty
sure it is not coded directly in the 'template.c'. I ask this because I'm
trying to use the -select option inside the code, but it seems that I can't
do that when I have this input asking.

I'm worried that this is a too simple question, but I'm really stuck at
this for 3 days. Pardon me if it is.

Thanks in advance.

Murilo G. K.
<gromacs.org_gmx-users at maillist.sys.kth.se>