[gmx-users] question about g_select

[mojdeh akhavan]

Dear gmx users,

Hi

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

or

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