[gmx-users] trjconv center problem

Justin Lemkul jalemkul at vt.edu
Fri Apr 19 22:16:42 CEST 2013

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 



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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