[gmx-users] question about g_select

mojdeh akhavan mojdeh.akhavan at gmail.com
Wed May 28 16:54:35 CEST 2014

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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