[gmx-developers] change trr group

[Mark Abraham]

On 1/05/2011 3:56 AM, Rasool Fakhimi wrote:
> dear developer's
> i have problem with big .trr files produced by mdrun

See 
http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume

> can i change the source code to write only some groups velocity and 
> coordinates in .trr file?

The former is not possible, but could be implemented by someone if they 
wanted it. A form of the latter exists already.

> how can i do this?

Examine src/kernel/md.c, then get out a debugger and step through the 
code to see how the relevant parts work.

Mark
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20110501/d01d0dda/attachment.html>