[gmx-users] Dismantling the methyl group

[Yang Ye]

Can you figure out which type of atom is this Me1?

Regards,
Yang Ye

On 7/2/2007 8:45 PM, Erik Marklund wrote:
>
> 2 jul 2007 kl. 14.32 skrev David van der Spoel:
>
>> Jussi Lehtola wrote:
>>> Hi again,
>>> thanks to Tsjerk and Erik for a quick reply. Would anyone happen to 
>>> have
>>> a .gro file (& al) for methanol using OPLS or another all-hydrogen 
>>> force
>>> field? I tried running pdb2gmx on the tutorial .pdb files, but it 
>>> failed
>>> with the error
>>> Fatal error:
>>> Atom Me1 in residue MET 1 not found in rtp entry with 17 atoms
>>>              while sorting atoms
>> chapter 5.
>>
>> pdb2gmx only works on proteins.
>>
>
> (And nucleic acids)
> /Erik
>
>> -- 
>> David van der Spoel, Ph.D.
>> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
>> Box 596, 75124 Uppsala, Sweden. Phone:    +46184714205. Fax: 
>> +4618511755.
>> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://folding.bmc.uu.se
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> _______________________________________________
> Erik Marklund, PhD student
> Laboratory of Molecular Biophysics,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,    75124 Uppsala, Sweden
> phone:    +46 18 471 4537        fax: +46 18 511 755
> erikm at xray.bmc.uu.se    http://xray.bmc.uu.se/molbiophys
>
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