[gmx-users] g_select / Input error or input inconsistency

leila karami karami.leila1 at gmail.com
Tue Nov 30 13:35:50 CET 2010

Dear Justin

thanks for your attention.

1) my system consists of protein, dna, and water. In my .ndx file, protein-H
is all of non hydrogen atoms of protein and dna. it is my nomination for
.ndx file.

2) I want to obtain number of water molecule which are simultaneously closer
than 3 A° from protein and DNA* *and not protein or dna.*



Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
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