[gmx-users] how to use backup files as an input file?

Kevin Boyd kevin.boyd at uconn.edu
Sun Aug 19 22:05:43 CEST 2018


The backup files are the exact same files you originally had, just renamed - they can be analyzed like any other gromacs files. I’d suggest renaming them again(for instance back to their original names) to avoid any confusion, but the content of e.g. #md300.trr.1# are identical to what md300.trr originally was.


> On Aug 17, 2018, at 11:04 AM, mmousivand93 <mmousivand93 at ut.ac.ir> wrote:
> Dear users 
> I am a beginner in molecular dynamic and I  have run a simulation for my
> aptamer (ssDNA)for 50 ns. After finishing I make a mistake and performed
> new mdrun again, when I noticed I stopped it by kill command,however the
> md run files such as *.trr, *.edr,*.log had been replaced with the new
> run files, But I see the old files as a backup in my folder (included
> #md300.log.1#, #md300.trr.1#,#md300.edr.1#) however I do not know how I
> can  use them. Is it possible to use the backup files for my analysis or
> I have to perform md run again? 
> Bset regards 
> Maryam
> -- 
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