nishap.pa...@utoronto.ca wrote:
Near the end, the values are fluctuating around one. The reason I was
That would seem right to me.
trying to get density values was may be to try an understand if the
density computed by gromacs is different for just water system and
water+one methane sys
I am trying to get an rdf graph actually, and my values are very close
to one, but not exactly one, and I was wondering if there is some
normalization issue with g_rdf? These are my values for rdf:
0 0
0.002 0
0.004 0
0.006 0
0.008
hammer, every problem begins to resemble
a nail.
> -Original Message-
> From: gmx-users-boun...@gromacs.org [mailto:gmx-users-
> boun...@gromacs.org] On Behalf Of nishap.pa...@utoronto.ca
> Sent: Wednesday, 17 March 2010 8:32 AM
> To: gmx-users@gromacs.org
> Subject: [gmx
Justin A. Lemkul wrote:
nishap.pa...@utoronto.ca wrote:
Hello,
I am simulating one methane molecule in 899 water molecues in the
box size of 3 3 3 nm (27nm^3). I would like to determine density vs
time. Is there a way I can do that? I am running my simulation at
constant Volume i.e.
nishap.pa...@utoronto.ca wrote:
Hello,
I am simulating one methane molecule in 899 water molecues in the
box size of 3 3 3 nm (27nm^3). I would like to determine density vs
time. Is there a way I can do that? I am running my simulation at
constant Volume i.e. no pressure coupling. I tri
Hello,
I am simulating one methane molecule in 899 water molecues in the
box size of 3 3 3 nm (27nm^3). I would like to determine density vs
time. Is there a way I can do that? I am running my simulation at
constant Volume i.e. no pressure coupling. I tried using g_density but
it give
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