On 12/18/12 2:04 PM, zugunder wrote:
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).
Because VMD can't deal with an .xtc file with no reference coordinate file. If
you want a coordinate file, specify a coordinate file (not trajectory) to the -o
option.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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