[gmx-users] trajectory analysis

Mark Abraham Mark.Abraham at anu.edu.au
Wed May 30 09:10:48 CEST 2012


On 30/05/2012 4:45 PM, oguz gurbulak wrote:
> Dear All,
> I want to ask some questions about trajectory analysis. I have some md 
> simulation output files that includes coordinate, force and velocity 
> information. And these files are huge ( more than 5 GB ) . Could you 
> please recommend a free text editor which works on Linux or Windows to 
> open and editthese huge files? And I will run these files with fortran 
> codes and get again huge output files . In order to do this operation 
> faster and seamlessly what should I do ? Which facilities do I have on 
> pc ? Could you please share your experiences with me ?
>

The advice of 
http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume 
is applicable to managing these situations. A few minutes of thought can 
save hours of I/O processing.

Mark
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