[gmx-users] frames in 2 trajectory files

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 30 06:17:50 CET 2011


On 30/11/2011 4:11 PM, Saba Ferdous wrote:
> Dear Gromacs group,
>
> I was running simulation of protein complex, due to power outage, my 
> simulation got interrupted. I resumed it by the mdrun command 
> provided. it got resumed starting from the frame, it stopped.
>
> Now simulation's all steps have been completed. but half frames are in 
> one trajectory file while rest are in other which was created after 
> resume.
>
> for analysis purpose  I want all frames in one trajectory file. Can 
> you tell me the way of doing so?

See manual section 7.4 for clues on what tools do what. There's a tool 
for this task. Use the -h command on it for more help.

Mark



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