Hi,
g_rdf -xy does not do what you want.
It determines rdf's using only the x and y components of the distance and
averages over z.
g_rdf hangs probably because you use -nbin 100, which sets bins with a width of
100 nm
(and not 100 bins as you probably thought).
There is currently no Gromacs tools which can easily do what you want.
Berk
Date: Mon, 18 May 2009 16:12:16 +0800
From: hyx...@mail.ipc.ac.cn
To: gmx-users@gromacs.org
Subject: [gmx-users] g_rdf -xy
Dear gmx-users,
I simulate a vapor/water/decane/vapor interface
system. The interface is xy plane. I want to
analysis water structure at the interface using g_rdf program
along z axis with -xy parameter. But the calculation is
hanged as the following:
Select a reference group and 1 group
Group 0
( OW) has 2508
elements
Group 1
( HW*) has 5016
elements
Select a group: 0
Selected 0: 'OW'
Select a group: 0
Selected 0: 'OW'
trn version: GMX_trn_file (single precision)
Skipping
frame 3000 time 4100.000
I used the following the operation
g_rdf -f -s -n -bin 100 -xy -o
Is the runing normal?
Please give me some suggestion. Thanks a lot!
H.Y. Xiao
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