[gmx-users] Protein distance with respect to box walls

amin at imtech.res.in amin at imtech.res.in
Tue Dec 9 06:02:19 CET 2014


Dear James, 

I think if you load your system in VMD you can measure the dimensions of
protein with something like 

set sel [atomselect top "protein"] 

measure minmax $sel 



On 2014-12-09 08:55, James Lord wrote: 

> Dear Users,
> I have a protein in a box and was wondering to know how to figure out the
> protein distance to the box walls? I can see the box dimensions at the end
> of .gro file but how to know what is (x,y,z) of protein in the box?? any
> comments?
> Cheers
> James


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