[gmx-users] gmx trjconv -force option doesn't seem to work.

[Justin Lemkul]

On 2/20/20 12:34 AM, 고연주 wrote:
>   
>   
>    Hello!
>    
>    I have a question about gmx trjconv -force option because it seems to work at all.
>    
>    
>     I'm using GROMACS-5.1.5 version and I want to extract forces using gmx trjconv command.
>    
>    
>     So I tried.
>    
>    
>     gmx trjconv -f alad.trr -s alad.tpr -n alad.ndx -novel -force yes -pbc mol -o test.gro
>    
>    
>      
>    
>    
>     However, the force was not obtained in test.gro.
>    
>    
>      
>    
>    
>     How do I get the force corresponding to specific coordinates.
>    
>    

Did you save forces in the .trr file? What does gmx check tell you? Also 
please note that version 5.1.5 is outdated so if there is some kind of 
bug it is not going to be fixed in that version and you should try using 
a more modern/supported GROMACS version.

-Justin

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Justin A. Lemkul, Ph.D.
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