[gmx-users] trjconv center problem

[Justin Lemkul]

On 4/19/13 4:14 PM, Brad Van Oosten wrote:
> i find the trjconv option -center skips random frames(less then 1 % of
> frames), and by random frames i mean that these frames are not equally
> spaced apart in time.  I have tried -center and -center -boxcenter zero
> flags but both produce the same problem.
>
> Does anyone know a fix/workaround?
>

Does the original trajectory have frames that are unevenly spaced?  That would 
account for a situation that trjconv (and other Gromacs tools) do not normally 
encounter.

-Justin

-- 
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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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