Hi all.<br>
<br>
Well, I've been working in this for some time now, and it now seems to be a stable and clean and also "good looking" version.<br>
<br>
Since I think I'm not the only one that, instead of making one long
simulation, prefers to make some or many simulations one after the
other, this might be of use.<br>
<br>
I'm not posting it yet on the ontributions because I wanted to know,
first, if it is really usefull for smeone else, and second, if there is
any suggestion that can be already proposed for this script.<br>
<br>
What does it do: theoretically with no bugs, it permits you to enqueue
a lot (from 001 to 998) simulations to be performed in series by
gromacs. Number the different files in sequential numbering, and also
compacts all them for you.<br>
<br>
Command line Sintax: rungmx <base_name> [first_file_number] [last_file_number] [nice]<br>
<br>
<base-name>: base name used in the files. like "simulation1.005.mdp", base name is "simulation1" (Needed)<br>
[first_file_number]: first simulation numer. In "simulation1.005.mdp",
the simulation number is 5. If not provided, script sets it to 1.<br>
[last_file_number]: Same as [first_file_number].<br>
[nice]: self-explanatoy! :P If not provided, script sets it to 7.<br>
<br>
If people likes it, or not, or have any comments or suggestions, please feedback me.<br>
<br>
Moreover, I'm working on a "rerun" version of this script.<br>
<br>
Thanks to you all,<br>
<br>
Jones<br>