[gmx-users] g_dist without output file
Mark.Abraham at anu.edu.au
Sun Mar 11 08:49:26 CET 2012
On 11/03/2012 6:38 PM, Atila Petrosian wrote:
> Dear Lina
> Very thanks for your time and attention.
> Initial command was : g_dist -f *.trr -s *.tpr -n *.ndx -o dist.xvg -dist 0.5
> After running following command the problem was solved :
> g_dist -f *.trr -s *.tpr -n *.ndx -o dist.xvg -dist 5
> t: 17008 6773 NA 21881 NA 3.05534 (nm)
> t: 17008 6774 NA 21882 NA 3.27381 (nm)
> t: 17008 6775 NA 21883 NA 2.44312 (nm)
> t: 17008 6776 NA 21884 NA 2.0746 (nm)
> Last frame 2 time 17008.000
> Now, I have a general question. In some of gromacs tools, there is
> distance parameter.
> I want to know what is dimension of the distance in gromacs? nm or A?
See manual section 2.2. Unfortunately, g_dist -dist is one of the places
where the units are not redundantly specified in the g_dist -h help output.
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