[gmx-users] problems with martinize.py

Tsjerk Wassenaar tsjerkw at gmail.com
Mon Feb 20 16:28:23 CET 2012


Hi Francesca,

The output is written in .pdb format. That's also stated in the help.

Cheers,

Tsjerk

On Mon, Feb 20, 2012 at 4:05 PM, francesca vitalini
<francesca.vitalini11 at gmail.com> wrote:
> Just  one last question Tsjerk, I was trying to load the cg.gro file
> obtained with martinize in vmd and the program says it is unable to
> load the molecule. the result of the martinize script looks like:
>
> MODEL        1
> TITLE     Protein in water
> CRYST1   29.094   29.094   29.094  90.00  90.00  90.00 P 1           1
> ATOM      1   BB ALA     1      15.063  17.501  13.232  1.00  0.00
> ATOM      2   BB GLU     2      14.568  13.732  14.199  1.00  0.00
> ATOM      3  SC1 GLU     2      17.373  14.208  15.223  1.00  0.00
> TER
> ENDMDL
>
> Does it sound right to you?
> Thanks
>
>
>
> 2012/2/20 francesca vitalini <francesca.vitalini11 at gmail.com>:
>> Thank you so much.. Now it is working. I was trying to do it without
>> specifying the secondary structure as I'm having problems with the
>> do_dssp command. It is not working basically and I have to use pdb2gmx
>> to convert into pdb then go to the dssp webpage and create the dssp
>> file from there through the pdb. Do you know a fastest way to make it
>> work? Thanks
>>
>> However, my Martini account never worked, don't know why, so I cannot
>> post it directly.
>>
>> 2012/2/20 Tsjerk Wassenaar <tsjerkw at gmail.com>:
>>> Hey Francesca,
>>>
>>> Now there's a small bug in the program. Sorry about it. We'll put the
>>> fixed version on in a bit. The problem arises because you don't
>>> specify the secondary structure and pymol is not yet available for
>>> doing so. The workaround is to explicitly set the secondary structure
>>> to loop, by adding "-ss LLL" on the command line. Thanks for pointing
>>> that out.
>>>
>>> By the way, you might want to post these issues on the Martini forum:
>>> http://md.chem.rug.nl/cgmartini/index.php/user-platform/forum
>>> It's not exactly Gromacs...
>>>
>>> Cheers,
>>>
>>> Tsjerk
>>>
>>> On Mon, Feb 20, 2012 at 2:34 PM, francesca vitalini
>>> <francesca.vitalini11 at gmail.com> wrote:
>>>> Done while waiting for your e-mail. the error message now says
>>>>
>>>> INFO       Chain termini will be charged
>>>> INFO       Residues at chain brakes will not be charged
>>>> INFO       Local elastic bonds will be used for extended regions.
>>>> INFO       Position restraints will be generated.
>>>> WARNING    Position restraints are only enabled if -DPOSRES is set in
>>>> the MDP file
>>>> INFO       Read input structure from file.
>>>> INFO       Input structure is a PDB file.
>>>> INFO       Found 1 chains:
>>>> INFO          1:     (Protein), 25 atoms in 3 residues.
>>>> INFO       Total size of the system: 3 residues.
>>>> Traceback (most recent call last):
>>>>  File "./martinize-1.0.py", line 2415, in <module>
>>>>    elif options["-pymol"]:
>>>> KeyError: '-pymol'
>>>>
>>>> and the pdb looks like
>>>>
>>>> TITLE     Protein in water
>>>> REMARK    THIS IS A SIMULATION BOX
>>>> CRYST1   29.094   29.094   29.094  90.00  90.00  90.00 P 1           1
>>>> MODEL        1
>>>> ATOM      1  N   ALA     1      15.650  18.630  12.470  1.00  0.00
>>>> ATOM      2  H1  ALA     1      16.142  19.465  12.716  1.00  0.00
>>>> ATOM      3  H2  ALA     1      16.062  18.229  11.652  1.00  0.00
>>>> ATOM      4  H3  ALA     1      14.692  18.849  12.287  1.00  0.00
>>>> ATOM      5  CA  ALA     1      15.730  17.670  13.580  1.00  0.00
>>>> ATOM      6  CB  ALA     1      15.240  18.220  14.910  1.00  0.00
>>>> ATOM      7  C   ALA     1      14.970  16.400  13.180  1.00  0.00
>>>> ATOM      8  O   ALA     1      13.880  16.420  12.610  1.00  0.00
>>>> ATOM      9  N   GLU     2      15.500  15.310  13.740  1.00  0.00
>>>> ATOM     10  H   GLU     2      16.295  15.467  14.326  1.00  0.00
>>>> ATOM     11  CA  GLU     2      15.070  13.910  13.610  1.00  0.00
>>>> ATOM     12  CB  GLU     2      16.230  12.950  13.880  1.00  0.00
>>>> ATOM     13  CG  GLU     2      16.930  13.120  15.230  1.00  0.00
>>>> ATOM     14  CD  GLU     2      17.660  14.430  15.540  1.00  0.00
>>>> ATOM     15  OE1 GLU     2      18.650  14.820  14.880  1.00  0.00
>>>> ATOM     16  OE2 GLU     2      17.070  15.190  16.330  1.00  0.00
>>>> ATOM     17  C   GLU     2      13.910  13.480  14.500  1.00  0.00
>>>> ATOM     18  O   GLU     2      13.760  12.300  14.810  1.00  0.00
>>>> ATOM     19  N   GLU     3      13.000  14.410  14.790  1.00  0.00
>>>> ATOM     20  H   GLU     3      13.192  15.329  14.446  1.00  0.00
>>>> ATOM     21  CA  GLU     3      11.750  14.260  15.550  1.00  0.00
>>>> ATOM     22  CB  GLU     3      11.920  13.690  16.960  1.00  0.00
>>>> ATOM     23  C   GLU     3      11.190  15.670  15.730  1.00  0.00
>>>> ATOM     24  O1  GLU     3      11.907  16.693  15.192  1.00  0.00
>>>> ATOM     25  O2  GLU     3      10.020  15.787  16.413  1.00  0.00
>>>> TER
>>>>
>>>>
>>>> can you please explain which the problem is to me?
>>>>
>>>> thanks
>>>>
>>>>
>>>>
>>>> 2012/2/20 Tsjerk Wassenaar <tsjerkw at gmail.com>:
>>>>> Hi Francesca,
>>>>>
>>>>> Given the error, it seems there's still a mismatch between the number
>>>>> of atoms and the number indicated. Try converting your structure to
>>>>> PDB and use that for coarsegraining.
>>>>>
>>>>
>>>>> Cheers,
>>>>>
>>>>> Tsjerk
>>>>>
>>>>> On Mon, Feb 20, 2012 at 2:08 PM, francesca vitalini
>>>>> <francesca.vitalini11 at gmail.com> wrote:
>>>>>> I've changed that but it is still complaining...
>>>>>>
>>>>>> INFO       Chain termini will be charged
>>>>>> INFO       Residues at chain brakes will not be charged
>>>>>> INFO       Local elastic bonds will be used for extended regions.
>>>>>> INFO       Position restraints will be generated.
>>>>>> WARNING    Position restraints are only enabled if -DPOSRES is set in
>>>>>> the MDP file
>>>>>> INFO       Read input structure from file.
>>>>>> INFO       Input structure is a GRO file. Chains will be labeled consecutively.
>>>>>> Traceback (most recent call last):
>>>>>>  File "./martinize-1.0.py", line 2306, in <module>
>>>>>>    for title,atoms,box in frameIterator(inStream):
>>>>>>  File "./martinize-1.0.py", line 1183, in groFrameIterator
>>>>>>    atoms  = [groAtom(streamIterator.next())  for i in range(natoms)]
>>>>>>  File "./martinize-1.0.py", line 1170, in groAtom
>>>>>>    return (S(a[10:15]), S(a[5:10]),   I(a[:5]), " ",
>>>>>> 10*F(a[20:28]),10*F(a[28:36]),10*F(a[36:44]))
>>>>>> ValueError: invalid literal for int() with base 10: '2.'
>>>>>>
>>>>>>
>>>>>>
>>>>>> 2012/2/20 Tsjerk Wassenaar <tsjerkw at gmail.com>:
>>>>>>> Hi Francesca,
>>>>>>>
>>>>>>> The problem is that the second line of your gro file indicates there
>>>>>>> are 2410 atoms in the file, while there are only 25. Did you manually
>>>>>>> remove water? In that case you have to update the number of atoms in
>>>>>>> the second line. The error message should be more explanatory though.
>>>>>>>
>>>>>>> Cheers,
>>>>>>>
>>>>>>> Tsjerk
>>>>>>>
>>>>>>> On Mon, Feb 20, 2012 at 1:57 PM, francesca vitalini
>>>>>>> <francesca.vitalini11 at gmail.com> wrote:
>>>>>>>> I was using the one available from the tutorial but now I have
>>>>>>>> downloaded the new one and it gives me still an error message like
>>>>>>>>
>>>>>>>> INFO       Chain termini will be charged
>>>>>>>> INFO       Residues at chain brakes will not be charged
>>>>>>>> INFO       Local elastic bonds will be used for extended regions.
>>>>>>>> INFO       Position restraints will be generated.
>>>>>>>> WARNING    Position restraints are only enabled if -DPOSRES is set in
>>>>>>>> the MDP file
>>>>>>>> INFO       Read input structure from file.
>>>>>>>> INFO       Input structure is a GRO file. Chains will be labeled consecutively.
>>>>>>>> Traceback (most recent call last):
>>>>>>>>  File "./martinize-1.0.py", line 2306, in <module>
>>>>>>>>    for title,atoms,box in frameIterator(inStream):
>>>>>>>>  File "./martinize-1.0.py", line 1183, in groFrameIterator
>>>>>>>>    atoms  = [groAtom(streamIterator.next())  for i in range(natoms)]
>>>>>>>>  File "./martinize-1.0.py", line 1170, in groAtom
>>>>>>>>    return (S(a[10:15]), S(a[5:10]),   I(a[:5]), " ",
>>>>>>>> 10*F(a[20:28]),10*F(a[28:36]),10*F(a[36:44]))
>>>>>>>> ValueError: invalid literal for int() with base 10: '2.'
>>>>>>>>
>>>>>>>> I have used the command line ./martinize-1.0.py -f npt_strip_wat.gro
>>>>>>>> -o frag_npt_cg_pdb.top -x frag_npt_cg_pdb.gro -v  -p backbone
>>>>>>>>
>>>>>>>> were my input file is very simply
>>>>>>>>
>>>>>>>> Protein in water
>>>>>>>>  2410
>>>>>>>>    1ALA      N    1   1.497   1.862   1.290  0.1206 -0.3069 -0.2102
>>>>>>>>    1ALA     H1    2   1.409   1.866   1.338  0.8590 -0.1748  1.1978
>>>>>>>>    1ALA     H2    3   1.547   1.948   1.296  2.0372 -1.4201  0.8359
>>>>>>>>    1ALA     H3    4   1.483   1.837   1.194  1.8924 -0.0993 -0.5621
>>>>>>>>    1ALA     CA    5   1.585   1.753   1.335 -0.1231 -0.2165  0.4955
>>>>>>>>    1ALA     CB    6   1.625   1.781   1.480  0.3554 -0.5405  0.4275
>>>>>>>>    1ALA      C    7   1.517   1.617   1.323  0.1234 -0.2807 -0.1917
>>>>>>>>    1ALA      O    8   1.407   1.624   1.268 -0.0033  0.4302  0.1378
>>>>>>>>    2GLU      N    9   1.566   1.515   1.393 -0.2655 -0.2542  0.1191
>>>>>>>>    2GLU      H   10   1.655   1.536   1.434  0.1561  0.1079 -0.9482
>>>>>>>>    2GLU     CA   11   1.501   1.384   1.402  0.3096 -0.5394  0.1823
>>>>>>>>    2GLU     CB   12   1.601   1.272   1.427  0.7527 -0.2033 -0.0775
>>>>>>>>    2GLU     CG   13   1.694   1.280   1.548 -0.0279  0.1789  0.5017
>>>>>>>>    2GLU     CD   14   1.779   1.405   1.571  0.4664 -0.1532  0.4921
>>>>>>>>    2GLU    OE1   15   1.882   1.412   1.500  0.2904 -0.0189  0.2469
>>>>>>>>    2GLU    OE2   16   1.740   1.489   1.654  0.2746  0.1001  0.1509
>>>>>>>>    2GLU      C   17   1.378   1.355   1.489  0.5085 -0.1385  0.5964
>>>>>>>>    2GLU      O   18   1.352   1.237   1.510  0.3837 -0.1792  0.2200
>>>>>>>>    3GLU      N   19   1.307   1.458   1.535 -0.1887 -0.4392  0.2009
>>>>>>>>    3GLU      H   20   1.315   1.547   1.489 -1.1961  0.1298  1.0835
>>>>>>>>    3GLU     CA   21   1.180   1.436   1.604 -0.3118 -0.2722  0.0307
>>>>>>>>    3GLU     CB   22   1.192   1.426   1.757 -0.3397  0.1329  0.0602
>>>>>>>>    3GLU      C   23   1.066   1.533   1.572 -0.3117 -0.4554 -0.5274
>>>>>>>>    3GLU     O1   24   1.072   1.606   1.471  0.0488  0.2651  0.0047
>>>>>>>>    3GLU     O2   25   0.965   1.542   1.646 -0.1745 -0.2606 -0.3621
>>>>>>>>   2.91477   2.91477   2.91477
>>>>>>>>
>>>>>>>> Can you help me on that?
>>>>>>>> Thanks
>>>>>>>>
>>>>>>>> 2012/2/20 Tsjerk Wassenaar <tsjerkw at gmail.com>:
>>>>>>>>> Hi Francesca,
>>>>>>>>>
>>>>>>>>> Is this the latest version
>>>>>>>>> (http://md.chem.rug.nl/cgmartini/index.php/downloads/tools/204-martinize)?
>>>>>>>>> If it is, please send me the input file and I'll fix the bug. Note
>>>>>>>>> that the previous version that was available online was one used in a
>>>>>>>>> workshop, while the script was still in beta.
>>>>>>>>>
>>>>>>>>> Cheers,
>>>>>>>>>
>>>>>>>>> Tsjerk
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> On Mon, Feb 20, 2012 at 10:43 AM, francesca vitalini
>>>>>>>>> <francesca.vitalini11 at gmail.com> wrote:
>>>>>>>>>> Hi all,
>>>>>>>>>> I'm trying to coarsegrain my structure using the script martinize.py
>>>>>>>>>> and using my gro file as inmput and the dssp file with the second
>>>>>>>>>> structure downloaded from http://swift.cmbi.ru.nl/gv/dssp using the
>>>>>>>>>> pdb structure as input, I get the following error message that I
>>>>>>>>>> really don't understand.
>>>>>>>>>>
>>>>>>>>>> INFO       Chain termini will be charged
>>>>>>>>>> INFO       Residues at chain brakes will not be charged
>>>>>>>>>> INFO       Local elastic bonds will be used for extended regions.
>>>>>>>>>> INFO       Position restraints will be generated.
>>>>>>>>>> WARNING    Position restraints are only enabled if -DPOSRES is set in
>>>>>>>>>> the MDP file
>>>>>>>>>> INFO       Read input structure from file.
>>>>>>>>>> INFO       Input structure is a GRO file. Chains will be labeled consecutively.
>>>>>>>>>> Traceback (most recent call last):
>>>>>>>>>>  File "./martinize.py", line 2037, in <module>
>>>>>>>>>>    for title,atoms,box in frameIterator(inStream):
>>>>>>>>>>  File "./martinize.py", line 1303, in groFrameIterator
>>>>>>>>>>    atoms  = [groAtom(streamIterator.next())  for i in range(natoms)]
>>>>>>>>>>  File "./martinize.py", line 1290, in groAtom
>>>>>>>>>>    return (S(a[10:15]), S(a[5:10]),   I(a[:5]), " ",
>>>>>>>>>> 10*F(a[20:28]),10*F(a[28:36]),10*F(a[36:44]))
>>>>>>>>>> ValueError: invalid literal for int() with base 10: '2.'
>>>>>>>>>>
>>>>>>>>>>  Can anyone help me on that?
>>>>>>>>>> Thanks
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> --
>>>>>>>>>> Francesca
>>>>>>>>>> --
>>>>>>>>>> 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
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> --
>>>>>>>>> Tsjerk A. Wassenaar, Ph.D.
>>>>>>>>>
>>>>>>>>> post-doctoral researcher
>>>>>>>>> Molecular Dynamics Group
>>>>>>>>> * Groningen Institute for Biomolecular Research and Biotechnology
>>>>>>>>> * Zernike Institute for Advanced Materials
>>>>>>>>> University of Groningen
>>>>>>>>> The Netherlands
>>>>>>>>> --
>>>>>>>>> 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
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> --
>>>>>>>> Francesca Vitalini
>>>>>>>>
>>>>>>>> PhD student at Computational Molecular Biology Group,
>>>>>>>> Department of Mathematics and Informatics, FU-Berlin
>>>>>>>> Arnimallee 6 14195 Berlin
>>>>>>>>
>>>>>>>> vitalini at zedat.fu-berlin.de
>>>>>>>> francesca.vitalini at fu-berlin.de
>>>>>>>>
>>>>>>>> +49 3083875776
>>>>>>>> +49 3083875412
>>>>>>>> --
>>>>>>>> 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
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> --
>>>>>>> Tsjerk A. Wassenaar, Ph.D.
>>>>>>>
>>>>>>> post-doctoral researcher
>>>>>>> Molecular Dynamics Group
>>>>>>> * Groningen Institute for Biomolecular Research and Biotechnology
>>>>>>> * Zernike Institute for Advanced Materials
>>>>>>> University of Groningen
>>>>>>> The Netherlands
>>>>>>> --
>>>>>>> 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
>>>>>>
>>>>>>
>>>>>>
>>>>>> --
>>>>>> Francesca Vitalini
>>>>>>
>>>>>> PhD student at Computational Molecular Biology Group,
>>>>>> Department of Mathematics and Informatics, FU-Berlin
>>>>>> Arnimallee 6 14195 Berlin
>>>>>>
>>>>>> vitalini at zedat.fu-berlin.de
>>>>>> francesca.vitalini at fu-berlin.de
>>>>>>
>>>>>> +49 3083875776
>>>>>> +49 3083875412
>>>>>> --
>>>>>> 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
>>>>>
>>>>>
>>>>>
>>>>> --
>>>>> Tsjerk A. Wassenaar, Ph.D.
>>>>>
>>>>> post-doctoral researcher
>>>>> Molecular Dynamics Group
>>>>> * Groningen Institute for Biomolecular Research and Biotechnology
>>>>> * Zernike Institute for Advanced Materials
>>>>> University of Groningen
>>>>> The Netherlands
>>>>> --
>>>>> 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
>>>>
>>>>
>>>>
>>>> --
>>>> Francesca Vitalini
>>>>
>>>> PhD student at Computational Molecular Biology Group,
>>>> Department of Mathematics and Informatics, FU-Berlin
>>>> Arnimallee 6 14195 Berlin
>>>>
>>>> vitalini at zedat.fu-berlin.de
>>>> francesca.vitalini at fu-berlin.de
>>>>
>>>> +49 3083875776
>>>> +49 3083875412
>>>> --
>>>> 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
>>>
>>>
>>>
>>> --
>>> Tsjerk A. Wassenaar, Ph.D.
>>>
>>> post-doctoral researcher
>>> Molecular Dynamics Group
>>> * Groningen Institute for Biomolecular Research and Biotechnology
>>> * Zernike Institute for Advanced Materials
>>> University of Groningen
>>> The Netherlands
>>> --
>>> 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
>>
>>
>>
>> --
>> Francesca Vitalini
>>
>> PhD student at Computational Molecular Biology Group,
>> Department of Mathematics and Informatics, FU-Berlin
>> Arnimallee 6 14195 Berlin
>>
>> vitalini at zedat.fu-berlin.de
>> francesca.vitalini at fu-berlin.de
>>
>> +49 3083875776
>> +49 3083875412
>
>
>
> --
> Francesca Vitalini
>
> PhD student at Computational Molecular Biology Group,
> Department of Mathematics and Informatics, FU-Berlin
> Arnimallee 6 14195 Berlin
>
> vitalini at zedat.fu-berlin.de
> francesca.vitalini at fu-berlin.de
>
> +49 3083875776
> +49 3083875412
> --
> 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



-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands



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