[gmx-users] g_hbond solvent insertion problem

cesteban at unsl.edu.ar cesteban at unsl.edu.ar
Fri Sep 10 21:40:53 CEST 2010

Hi all:
I´m using gromacs version 4.0.2 and a box type truncated octahedron for
the MD simulation.
I need to analyze hydrogen bonds with solvent (water)insertion.
I used the following command:
g_hbond –f *.xtc –s *.tpr –n *.ndx –num num.xvg –dist *.xvg –ang *.xvg –a
45 –r 0.3 –ins.
I selected acceptor and donor grups and solvent grup.
The problem is that the file num.xvg is the same  with direct hydrogen
bonds (without solvent) and the output insert.dat is empty.
Why is this?
Any help would be appreciated

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