[gmx-users] Re: RDF output has no data
Venkat Reddy
venkat4bt at gmail.com
Wed Apr 10 14:38:26 CEST 2013
Sir
I truncated my file so it has only 10 molecules of water and 5 frames.
gmxcheck gives the following information
Checking file test.trr
trn version: GMX_trn_file (single precision)
Reading frame 0 time 0.000
# Atoms 30
Last frame 5 time 0.500
Item #frames Timestep (ps)
Step 6 0.1
Time 6 0.1
Lambda 6 0.1
Coords 6 0.1
Velocities 0
Forces 0
Box 6 0.1
And the output file for gmxdump is attached. They look fine in my limited
knowledge of gromacs that I have gained in the past couple of days.
Please advice
On Tue, Apr 9, 2013 at 6:39 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:
> On Tue, Apr 9, 2013 at 8:33 AM, Dr. Vitaly Chaban <vvchaban at gmail.com>
> wrote:
> > So there is a problem with your trajectory file. Try to understand what
> > kind of problem it is.
>
> e.g. by using gmxcheck and/or gmxdump (on a small version of your
> data!) to see what information is present.
>
> Mark
>
> >
> > I can recollect that I experienced something like that why translating
> CPMD
> > trajectory to GROMACS. Maybe, it does not write time for each frame at
> the
> > right place -- just a guess.
> >
> > Dr. Vitaly Chaban
> >
> >
> >
> >
> > On Tue, Apr 9, 2013 at 7:44 AM, Venkat Reddy <venkat4bt at gmail.com>
> wrote:
> >
> >> Sir
> >>
> >> I tried g_msd, after asking for group selection the program appears not
> to
> >> read the frames as it remains stuck at reading frame 0, time 0.00.
> >>
> >> What to do?
> >>
> >> Thanks
> >>
> >>
> >>
> >>
> >> On Mon, Apr 8, 2013 at 11:16 PM, Dr. Vitaly Chaban <vvchaban at gmail.com
> >wrote:
> >>
> >>> Do you experience this problem with g_rdf only, or with all gromacs
> >>> analysis utilities?
> >>>
> >>>
> >>> On Mon, Apr 8, 2013 at 7:33 PM, Venkat Reddy <venkat4bt at gmail.com>
> wrote:
> >>>
> >>>> Sir
> >>>>
> >>>> I loaded the trajectory. There doesn't seem to be anything wrong with
> >>>> it. Have no clue whats going wrong
> >>>>
> >>>> Thanks
> >>>>
> >>>>
> >>>> On Mon, Apr 8, 2013 at 5:28 PM, Dr. Vitaly Chaban <vvchaban at gmail.com
> >wrote:
> >>>>
> >>>>> I believe the problem is in the way which you used to convert AMBER
> >>>>> trajectory to the GROMACS trajectory....
> >>>>>
> >>>>> I would suggest to try gmxdump and see what your trajectory looks
> like.
> >>>>> Oe
> >>>>> maybe even better - try to visualize it in VMD to see if the format
> is
> >>>>> correct.
> >>>>>
> >>>>> Dr. Vitaly Chaban
> >>>>>
> >>>>>
> >>>>>
> >>>>> Sir
> >>>>> >
> >>>>> > I was using an old version. Now I used 4.5.5, it still gives me the
> >>>>> same
> >>>>> > blank output file.
> >>>>> >
> >>>>> > Kindly suggest how to go about solving this
> >>>>> >
> >>>>> > Thanks
> >>>>> >
> >>>>> >
> >>>>> > On Sat, Apr 6, 2013 at 2:26 PM, Mark Abraham <
> >>>>> mark.j.abraham at gmail.com
> >>>>> > >wrote:
> >>>>> >
> >>>>> > > On Sat, Apr 6, 2013 at 7:19 AM, Venkat Reddy <
> venkat4bt at gmail.com>
> >>>>> > wrote:
> >>>>> > >
> >>>>> > > > There was no fatal error preceding the output. After selecting
> the
> >>>>> > groups
> >>>>> > > > following are the output on the screen
> >>>>> > > > Reading frame 1 time 0.100
> >>>>> > > > Warning: can not make broken molecules whole without a run
> input
> >>>>> file,
> >>>>> > > > don't worry, mdrun doesn't write broken molecules
> >>>>> > > >
> >>>>> > >
> >>>>> > > This message is from a prehistoric version of g_rdf. Please get a
> >>>>> new
> >>>>> > one.
> >>>>> > >
> >>>>> > > Mark
> >>>>> > >
> >>>>> > >
> >>>>> > > >
> >>>>> > > > Reading frame 2000 time 200.000
> >>>>> > > >
> >>>>> > > >
> >>>>> > > > gcq#69: "The Wheels On the Bus Go Round and Round" (J. Richman)
> >>>>> > > >
> >>>>> > > > And the rdf.xvg file looks like this
> >>>>> > > >
> >>>>> > > > #This file was created Sat Apr 6 10:54:13 2013
> >>>>> > > > # by the following command:
> >>>>> > > > # g_rdf -f 6md.trr -s ../../6md.pdb -n rdf.ndx -o rdf.xvg
> >>>>> > > > #
> >>>>> > > > # g_rdf is part of G R O M A C S:
> >>>>> > > > #
> >>>>> > > > # GROningen MAchine for Chemical Simulation
> >>>>> > > > #
> >>>>> > > > @ title "Radial Distribution"
> >>>>> > > > @ xaxis label "r"
> >>>>> > > > @ yaxis label ""
> >>>>> > > > @TYPE xy
> >>>>> > > > @ subtitle "O21-H2_&_CAT"
> >>>>> > > > 0.001 1
> >>>>> > > > ~
> >>>>> > > >
> >>>>> > > > Whats going wrong? Please help.
> >>>>> >
> >>>>> --
> >>>>> gmx-users mailing list gmx-users at gromacs.org
> >>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
> >>>>> * Please search the archive at
> >>>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> >>>>> * Please don't post (un)subscribe requests to the list. Use the
> >>>>> www interface or send it to gmx-users-request at gromacs.org.
> >>>>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >>>>>
> >>>>
> >>>>
> >>>>
> >>>> --
> >>>> With Best Wishes
> >>>> Venkat Reddy Chirasani
> >>>> PhD student
> >>>> Laboratory of Computational Biophysics
> >>>> Department of Biotechnology
> >>>> IIT Madras
> >>>> Chennai
> >>>> INDIA-600036
> >>>>
> >>>
> >>>
> >>
> >>
> >> --
> >> With Best Wishes
> >> Venkat Reddy Chirasani
> >> PhD student
> >> Laboratory of Computational Biophysics
> >> Department of Biotechnology
> >> IIT Madras
> >> Chennai
> >> INDIA-600036
> >>
> > --
> > gmx-users mailing list gmx-users at gromacs.org
> > http://lists.gromacs.org/mailman/listinfo/gmx-users
> > * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> > * Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
--
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036
-------------- next part --------------
test.trr frame 0:
natoms= 30 step= 0 time=0.0000000e+00 lambda= 0
box (3x3):
box[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00}
box[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00}
box[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00}
x (30x3):
x[ 0]={ 1.11900e-01, 5.64600e-01, 8.98700e-01}
x[ 1]={ 1.67000e-02, 5.56600e-01, 9.04700e-01}
x[ 2]={ 1.26100e-01, 6.37000e-01, 8.37700e-01}
x[ 3]={ 2.97650e+00, 3.38320e+00, 2.44860e+00}
x[ 4]={ 3.03980e+00, 3.41820e+00, 2.51140e+00}
x[ 5]={ 3.02490e+00, 3.37830e+00, 2.36610e+00}
x[ 6]={ 2.14300e+00, 4.11400e-01, 3.37450e+00}
x[ 7]={ 2.16700e+00, 4.37700e-01, 3.28570e+00}
x[ 8]={ 2.04730e+00, 4.12400e-01, 3.37470e+00}
x[ 9]={ 4.74820e+00, 4.40480e+00, 2.91930e+00}
x[ 10]={ 4.73190e+00, 4.37530e+00, 3.00890e+00}
x[ 11]={ 4.77520e+00, 4.49620e+00, 2.92860e+00}
x[ 12]={ 4.88360e+00, 2.10360e+00, 4.52550e+00}
x[ 13]={ 4.92890e+00, 2.15400e+00, 4.45790e+00}
x[ 14]={ 4.79930e+00, 2.14780e+00, 4.53590e+00}
x[ 15]={ 2.27450e+00, 4.02790e+00, 1.51100e+00}
x[ 16]={ 2.34150e+00, 3.96750e+00, 1.54300e+00}
x[ 17]={ 2.31430e+00, 4.06940e+00, 1.43440e+00}
x[ 18]={ 1.98980e+00, 6.69800e-01, 2.81210e+00}
x[ 19]={ 1.91410e+00, 6.47600e-01, 2.75780e+00}
x[ 20]={ 2.02000e+00, 5.85800e-01, 2.84660e+00}
x[ 21]={ 2.95600e-01, 4.79800e-01, 4.95230e+00}
x[ 22]={ 3.89000e-01, 4.99400e-01, 4.96070e+00}
x[ 23]={ 2.88900e-01, 4.29700e-01, 4.87100e+00}
x[ 24]={ 3.09780e+00, 2.82860e+00, 2.00950e+00}
x[ 25]={ 3.18510e+00, 2.86800e+00, 2.01040e+00}
x[ 26]={ 3.10270e+00, 2.76120e+00, 1.94180e+00}
x[ 27]={ 3.60440e+00, 3.27520e+00, 2.64490e+00}
x[ 28]={ 3.68380e+00, 3.32540e+00, 2.62640e+00}
x[ 29]={ 3.62900e+00, 3.21700e+00, 2.71670e+00}
test.trr frame 1:
natoms= 30 step= 1 time=1.0000000e-01 lambda= 0
box (3x3):
box[ 0]={ 5.11790e+00, 0.00000e+00, 0.00000e+00}
box[ 1]={ 3.13381e-16, 5.11790e+00, 0.00000e+00}
box[ 2]={ 3.13381e-16, 3.13381e-16, 5.11790e+00}
x (30x3):
x[ 0]={ 2.09700e-01, 4.81700e-01, 6.73300e-01}
x[ 1]={ 1.89100e-01, 5.01700e-01, 7.64600e-01}
x[ 2]={ 1.73200e-01, 5.55000e-01, 6.23800e-01}
x[ 3]={ 2.90870e+00, 3.37770e+00, 2.46850e+00}
x[ 4]={ 2.96760e+00, 3.44860e+00, 2.49430e+00}
x[ 5]={ 2.94990e+00, 3.33930e+00, 2.39110e+00}
x[ 6]={ 1.91280e+00, 5.72500e-01, 3.27530e+00}
x[ 7]={ 1.99480e+00, 5.53600e-01, 3.22970e+00}
x[ 8]={ 1.91080e+00, 5.10200e-01, 3.34800e+00}
x[ 9]={ 4.73100e+00, 4.70650e+00, 2.96710e+00}
x[ 10]={ 4.82370e+00, 4.68570e+00, 2.97920e+00}
x[ 11]={ 4.68460e+00, 4.63540e+00, 3.01130e+00}
x[ 12]={ 4.81870e+00, 2.09880e+00, 4.51150e+00}
x[ 13]={ 4.86340e+00, 2.09250e+00, 4.42710e+00}
x[ 14]={ 4.73180e+00, 2.13280e+00, 4.49010e+00}
x[ 15]={ 2.28040e+00, 3.80770e+00, 1.69740e+00}
x[ 16]={ 2.34330e+00, 3.80820e+00, 1.76960e+00}
x[ 17]={ 2.32630e+00, 3.85070e+00, 1.62530e+00}
x[ 18]={ 2.00370e+00, 6.31900e-01, 2.73350e+00}
x[ 19]={ 1.90970e+00, 6.32700e-01, 2.75150e+00}
x[ 20]={ 2.04160e+00, 5.82300e-01, 2.80610e+00}
x[ 21]={ 2.70600e-01, 2.74600e-01, 5.00040e+00}
x[ 22]={ 2.79400e-01, 3.69600e-01, 4.99250e+00}
x[ 23]={ 2.70700e-01, 2.42900e-01, 4.91010e+00}
x[ 24]={ 2.95220e+00, 2.68840e+00, 1.91350e+00}
x[ 25]={ 3.03450e+00, 2.72580e+00, 1.94490e+00}
x[ 26]={ 2.97700e+00, 2.63730e+00, 1.83650e+00}
x[ 27]={ 4.02080e+00, 3.01840e+00, 2.55900e+00}
x[ 28]={ 3.94470e+00, 3.04280e+00, 2.61180e+00}
x[ 29]={ 4.02810e+00, 3.08820e+00, 2.49390e+00}
test.trr frame 2:
natoms= 30 step= 2 time=2.0000000e-01 lambda= 0
box (3x3):
box[ 0]={ 5.12270e+00, 0.00000e+00, 0.00000e+00}
box[ 1]={ 3.13675e-16, 5.12270e+00, 0.00000e+00}
box[ 2]={ 3.13675e-16, 3.13675e-16, 5.12270e+00}
x (30x3):
x[ 0]={ 2.20200e-01, 6.00700e-01, 8.47200e-01}
x[ 1]={ 1.47100e-01, 5.44300e-01, 8.72300e-01}
x[ 2]={ 1.96200e-01, 6.33800e-01, 7.60600e-01}
x[ 3]={ 2.95290e+00, 3.41720e+00, 2.39880e+00}
x[ 4]={ 3.00690e+00, 3.42750e+00, 2.47710e+00}
x[ 5]={ 3.01130e+00, 3.43930e+00, 2.32630e+00}
x[ 6]={ 1.89960e+00, 5.34300e-01, 3.32150e+00}
x[ 7]={ 1.95720e+00, 5.04900e-01, 3.25090e+00}
x[ 8]={ 1.93910e+00, 4.98700e-01, 3.40100e+00}
x[ 9]={ 4.76760e+00, 4.84290e+00, 3.00530e+00}
x[ 10]={ 4.86210e+00, 4.85770e+00, 3.00440e+00}
x[ 11]={ 4.75820e+00, 4.74790e+00, 2.99750e+00}
x[ 12]={ 4.83710e+00, 2.19220e+00, 4.46270e+00}
x[ 13]={ 4.85820e+00, 2.12710e+00, 4.39580e+00}
x[ 14]={ 4.74300e+00, 2.18180e+00, 4.47730e+00}
x[ 15]={ 2.20940e+00, 3.79120e+00, 1.70590e+00}
x[ 16]={ 2.29930e+00, 3.79610e+00, 1.73850e+00}
x[ 17]={ 2.21420e+00, 3.82640e+00, 1.61700e+00}
x[ 18]={ 2.03330e+00, 6.57500e-01, 2.73830e+00}
x[ 19]={ 1.94010e+00, 6.55700e-01, 2.75980e+00}
x[ 20]={ 2.07230e+00, 5.91200e-01, 2.79530e+00}
x[ 21]={ 3.16800e-01, 3.53100e-01, 4.91540e+00}
x[ 22]={ 3.81400e-01, 4.22800e-01, 4.90440e+00}
x[ 23]={ 3.00300e-01, 3.21600e-01, 4.82650e+00}
x[ 24]={ 2.99580e+00, 2.81980e+00, 1.97780e+00}
x[ 25]={ 3.08140e+00, 2.86120e+00, 1.98910e+00}
x[ 26]={ 3.00910e+00, 2.75600e+00, 1.90770e+00}
x[ 27]={ 3.70950e+00, 3.17350e+00, 2.66690e+00}
x[ 28]={ 3.71670e+00, 3.11660e+00, 2.74350e+00}
x[ 29]={ 3.79670e+00, 3.21170e+00, 2.65720e+00}
test.trr frame 3:
natoms= 30 step= 3 time=3.0000001e-01 lambda= 0
box (3x3):
box[ 0]={ 5.11870e+00, 0.00000e+00, 0.00000e+00}
box[ 1]={ 3.13430e-16, 5.11870e+00, 0.00000e+00}
box[ 2]={ 3.13430e-16, 3.13430e-16, 5.11870e+00}
x (30x3):
x[ 0]={ 2.23200e-01, 6.02200e-01, 9.34700e-01}
x[ 1]={ 1.28700e-01, 5.96400e-01, 9.48700e-01}
x[ 2]={ 2.32200e-01, 6.44800e-01, 8.49400e-01}
x[ 3]={ 2.88330e+00, 3.45890e+00, 2.35330e+00}
x[ 4]={ 2.96010e+00, 3.46980e+00, 2.40930e+00}
x[ 5]={ 2.91890e+00, 3.43130e+00, 2.26880e+00}
x[ 6]={ 1.88900e+00, 4.91000e-01, 3.37390e+00}
x[ 7]={ 1.93860e+00, 4.38500e-01, 3.31100e+00}
x[ 8]={ 1.91000e+00, 4.52500e-01, 3.45900e+00}
x[ 9]={ 4.71310e+00, 4.67810e+00, 2.96860e+00}
x[ 10]={ 4.78840e+00, 4.73320e+00, 2.99000e+00}
x[ 11]={ 4.71260e+00, 4.61070e+00, 3.03650e+00}
x[ 12]={ 5.01610e+00, 2.23620e+00, 4.53660e+00}
x[ 13]={ 5.04510e+00, 2.17910e+00, 4.46540e+00}
x[ 14]={ 5.09420e+00, 2.24920e+00, 4.59030e+00}
x[ 15]={ 2.26750e+00, 3.80860e+00, 1.59550e+00}
x[ 16]={ 2.35270e+00, 3.81750e+00, 1.63830e+00}
x[ 17]={ 2.27760e+00, 3.85480e+00, 1.51230e+00}
x[ 18]={ 1.97300e+00, 5.99800e-01, 2.85300e+00}
x[ 19]={ 1.88110e+00, 5.72900e-01, 2.85050e+00}
x[ 20]={ 2.01380e+00, 5.39800e-01, 2.91550e+00}
x[ 21]={ 2.99900e-01, 3.51900e-01, 4.98740e+00}
x[ 22]={ 3.63000e-01, 4.23900e-01, 4.98600e+00}
x[ 23]={ 3.26400e-01, 2.95300e-01, 4.91500e+00}
x[ 24]={ 3.00540e+00, 2.71410e+00, 2.09190e+00}
x[ 25]={ 3.08540e+00, 2.76410e+00, 2.10810e+00}
x[ 26]={ 3.02640e+00, 2.65900e+00, 2.01650e+00}
x[ 27]={ 3.88870e+00, 3.07380e+00, 2.63510e+00}
x[ 28]={ 3.85350e+00, 3.05240e+00, 2.72150e+00}
x[ 29]={ 3.86780e+00, 3.16640e+00, 2.62290e+00}
test.trr frame 4:
natoms= 30 step= 4 time=4.0000001e-01 lambda= 0
box (3x3):
box[ 0]={ 5.12580e+00, 0.00000e+00, 0.00000e+00}
box[ 1]={ 3.13865e-16, 5.12580e+00, 0.00000e+00}
box[ 2]={ 3.13865e-16, 3.13865e-16, 5.12580e+00}
x (30x3):
x[ 0]={ 6.73000e-02, 5.92700e-01, 9.32600e-01}
x[ 1]={-2.45000e-02, 6.16200e-01, 9.19100e-01}
x[ 2]={ 1.11500e-01, 6.22400e-01, 8.53200e-01}
x[ 3]={ 2.92690e+00, 3.40680e+00, 2.44030e+00}
x[ 4]={ 3.00310e+00, 3.45710e+00, 2.46910e+00}
x[ 5]={ 2.96020e+00, 3.35100e+00, 2.37000e+00}
x[ 6]={ 2.09490e+00, 4.41800e-01, 3.48580e+00}
x[ 7]={ 2.13210e+00, 4.32100e-01, 3.39810e+00}
x[ 8]={ 2.02840e+00, 3.73200e-01, 3.49130e+00}
x[ 9]={ 4.62420e+00, 4.50170e+00, 2.96920e+00}
x[ 10]={ 4.69080e+00, 4.57000e+00, 2.96200e+00}
x[ 11]={ 4.61310e+00, 4.48900e+00, 3.06340e+00}
x[ 12]={ 4.81400e+00, 2.00350e+00, 4.50230e+00}
x[ 13]={ 4.89470e+00, 2.03860e+00, 4.46470e+00}
x[ 14]={ 4.75200e+00, 2.07630e+00, 4.49830e+00}
x[ 15]={ 2.26500e+00, 3.73390e+00, 1.64950e+00}
x[ 16]={ 2.35440e+00, 3.70860e+00, 1.67250e+00}
x[ 17]={ 2.27390e+00, 3.82140e+00, 1.61150e+00}
x[ 18]={ 2.02010e+00, 5.81100e-01, 2.86090e+00}
x[ 19]={ 1.94290e+00, 5.60000e-01, 2.80840e+00}
x[ 20]={ 2.02960e+00, 5.06700e-01, 2.92040e+00}
x[ 21]={ 2.82600e-01, 4.17400e-01, 4.92270e+00}
x[ 22]={ 3.67800e-01, 4.52400e-01, 4.94860e+00}
x[ 23]={ 3.02500e-01, 3.32500e-01, 4.88320e+00}
x[ 24]={ 3.15390e+00, 2.67380e+00, 2.15950e+00}
x[ 25]={ 3.22180e+00, 2.74100e+00, 2.15380e+00}
x[ 26]={ 3.12320e+00, 2.66310e+00, 2.06940e+00}
x[ 27]={ 3.72600e+00, 3.13510e+00, 2.65840e+00}
x[ 28]={ 3.70680e+00, 3.12800e+00, 2.75190e+00}
x[ 29]={ 3.74900e+00, 3.22710e+00, 2.64550e+00}
test.trr frame 5:
natoms= 30 step= 5 time=5.0000000e-01 lambda= 0
box (3x3):
box[ 0]={ 5.11740e+00, 0.00000e+00, 0.00000e+00}
box[ 1]={ 3.13350e-16, 5.11740e+00, 0.00000e+00}
box[ 2]={ 3.13350e-16, 3.13350e-16, 5.11740e+00}
x (30x3):
x[ 0]={ 1.92000e-01, 5.69800e-01, 8.88100e-01}
x[ 1]={ 9.96000e-02, 5.50200e-01, 8.72500e-01}
x[ 2]={ 2.18400e-01, 6.22100e-01, 8.12400e-01}
x[ 3]={ 2.88880e+00, 3.46830e+00, 2.41920e+00}
x[ 4]={ 2.95050e+00, 3.47750e+00, 2.49180e+00}
x[ 5]={ 2.92340e+00, 3.39560e+00, 2.36740e+00}
x[ 6]={ 2.10920e+00, 4.26900e-01, 3.43960e+00}
x[ 7]={ 2.13020e+00, 4.12400e-01, 3.34730e+00}
x[ 8]={ 2.03680e+00, 3.67000e-01, 3.45740e+00}
x[ 9]={ 4.63900e+00, 4.46230e+00, 2.97350e+00}
x[ 10]={ 4.60080e+00, 4.45680e+00, 3.06110e+00}
x[ 11]={ 4.70100e+00, 4.53500e+00, 2.97900e+00}
x[ 12]={ 4.94440e+00, 2.18320e+00, 4.49920e+00}
x[ 13]={ 4.95480e+00, 2.14510e+00, 4.41200e+00}
x[ 14]={ 4.85160e+00, 2.17120e+00, 4.51970e+00}
x[ 15]={ 2.31420e+00, 3.74080e+00, 1.58340e+00}
x[ 16]={ 2.39800e+00, 3.75740e+00, 1.62660e+00}
x[ 17]={ 2.32430e+00, 3.77880e+00, 1.49620e+00}
x[ 18]={ 1.97610e+00, 5.91300e-01, 2.79710e+00}
x[ 19]={ 1.88610e+00, 5.59200e-01, 2.79080e+00}
x[ 20]={ 2.01820e+00, 5.32200e-01, 2.85950e+00}
x[ 21]={ 2.71200e-01, 4.32800e-01, 4.90080e+00}
x[ 22]={ 3.60700e-01, 4.46700e-01, 4.93150e+00}
x[ 23]={ 2.67900e-01, 3.40100e-01, 4.87750e+00}
x[ 24]={ 2.99290e+00, 2.70260e+00, 2.02550e+00}
x[ 25]={ 3.07280e+00, 2.75530e+00, 2.02860e+00}
x[ 26]={ 2.98330e+00, 2.67920e+00, 1.93320e+00}
x[ 27]={ 4.06290e+00, 3.05730e+00, 2.60000e+00}
x[ 28]={ 4.00300e+00, 3.05830e+00, 2.67480e+00}
x[ 29]={ 4.01910e+00, 3.11050e+00, 2.53360e+00}
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