e: [gmx-users] Nucleotides for charmm port

David Parcej parcej at biochem.uni-frankfurt.de
Fri Sep 17 17:10:18 CEST 2010


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> Today's Topics:
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>    1. Nucleotides for charmm port (David Parcej)
>    2. Umbrella sampling question (Aswathy)
>    3. Re: WHAM (Justin A. Lemkul)
>    4. Re: Nucleotides for charmm port (Thomas Piggot)
>    5. Re: ARG Charmm gmx 4.5.1 (Thomas Piggot)
>    6. RE: ARG Charmm gmx 4.5.1 (Berk Hess)
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Fri, 17 Sep 2010 11:44:08 +0200
> From: David Parcej <parcej at biochem.uni-frankfurt.de>
> Subject: [gmx-users] Nucleotides for charmm port
> To: gmx-users at gromacs.org
> Message-ID: <4C933868.4020108 at biochem.uni-frankfurt.de>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> Hi all,
> Has anybody managed to use ATP with the charmm27 ff in gromacs 4.5? The 
> forcefield files are missing atom and bond types and angle information.
> This is available for charmm, but I have only found it in "stream" file 
> and have no idea how to convert it. It should be possible (for someone 
> smarter than me).
> cheers
> Dave
>   

Thank a lot Tom, it worked fine!
Dave





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