[gmx-users] Re: Actual box size

[zugunder]

Justin Lemkul wrote
> If you don't specify an actual file name to -s, then all Gromacs tools
> look for a default file name, which in this case is "topol.tpr."  Since
> you've run a simulation, clearly you have a .tpr file, which is what you
> need to provide to -s.

I have only one .tpr file - the input for NVT (which I'd like to convert).
Is it the one? However, when I execute:

g_trjconv -f nvt_minimized.cpt -o nvt_minimized_compact.xtc -s
nvt_min_input.tpr -pbc mol -ur compact

I have a very small file (~100k) as an output and VMD reports only one frame
in it (no image).




--
View this message in context: http://gromacs.5086.n6.nabble.com/Actual-box-size-tp5003850p5003887.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.