[gmx-users] gmx trjconv -center not working?
jalemkul at vt.edu
Fri Feb 8 12:56:28 CET 2019
On 2/8/19 5:17 AM, Rajat Desikan wrote:
> Hi Mala,
> Please combine -center with "-pbc mol -ur compact" and check.
Compact unit cell representation is only useful for dodecahedral and
octahedral boxes. A cubic box is already as compact as it can be.
Justin A. Lemkul, Ph.D.
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