[gmx-users] xtc-precision

Justin A. Lemkul jalemkul at vt.edu
Sun May 27 23:48:24 CEST 2012

On 5/27/12 5:29 PM, Igor Druz wrote:
> I would like to save disk space and write only protein coordinates using
> xtc-grps, but preserve the same precision as in trr file. What value of
> xtc-precision should be used to achieve this?

Why not write a .trr file with the desired frequency?  What you're looking to do 
is no different than setting a non-zero value of nstxout, with nstfout and 
nstvout set to zero.



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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