[gmx-users] Question about DNA simulation

David van der Spoel spoel at xray.bmc.uu.se
Tue May 29 11:00:00 CEST 2007


Maik Goette wrote:
> Because it is?
> 
> The masses are defined in the .atp file. I dont't know how GROMACS 
> handles the stuff, but that is sufficiant....Maybe Eric was a bit lazy...
> Why do you care for that...?

atp file is never used...

> 
> Maik Goette, Dipl. Biol.
> Max Planck Institute for Biophysical Chemistry
> Theoretical & computational biophysics department
> Am Fassberg 11
> 37077 Goettingen
> Germany
> Tel.  : ++49 551 201 2310
> Fax   : ++49 551 201 2302
> Email : mgoette[at]mpi-bpc.mpg.de
>         mgoette2[at]gwdg.de
> WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/
> 
> 
> bo yang wrote:
>> Hello,
>> I have a question regarding DNA simulation.
>> I have the amber99 package.
>> Can anyone give me an explanation why all the masses in the 
>> ffamberXXnb.itp are 0?
>>
>> Thank you very much!
>> Bo
>>
>>
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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