[gmx-users] question about g_select
mark.j.abraham at gmail.com
Wed May 28 17:49:50 CEST 2014
There should be. See
g_select -select 'help arithmetic'
On Wed, May 28, 2014 at 3:38 PM, mojdeh akhavan <mojdeh.akhavan at gmail.com>wrote:
> Dear gmx users,
> I have a quation about g_select. Is it posssible to use mathematical
> expressions in g_select?
> For example, I want to select all atoms with x^2 + y^2 lower (or equal)
> than a constant value.
> So I want to
> include the above expression in g_select selection string
> make a new xtc whose y components are, for example, x2+y2 and use that xtc
> with g_select.
> Is there any way to do this?
> Thank you so much in advance
> Mojdeh Akhavan
> Assistant Professor
> School of Nano-Science
> Institute for Research in Fundamental Sciences (IPM)
> P.O. Box 19395-5531 Tehran, Iran
> Tel: +98 21 22835058
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