[gmx-users] Is there an easy way to disable the choice prompt in g_rmsf?

[Berk Hess]

Hi,

Yet another solution:
You can make an index file which contains only one group,
the one you want to analyze. In that case g_rmsf and many other
Gromacs programs will not prompt you for group selection.

Berk.


Hua Wong wrote:

>Here is my problem :
>I have a hundred SA structures and wish to calculate de RMSF of some part 
>of the molecule. I want to make it automatically using a small shell 
>script. But how can I tell g_rmsf the choices I want whitout the software 
>pausing his execution to prompt me? Is there a file I have to modify or 
>just an option I might have misunderstood?
>
>Thanks
>

_________________________________________________________________
Play online games with your friends with MSN Messenger 
http://messenger.msn.nl/