[gmx-developers] change trr group
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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