[gmx-developers] change trr group

Mark Abraham Mark.Abraham at anu.edu.au
Sun May 1 02:18:53 CEST 2011

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


> 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.

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