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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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