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Today's Topics:
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)
----------------------------------------------------------------------
Message: 1
Date: Fri, 17 Sep 2010 11:44:08 +0200
From: David Parcej <[email protected]>
Subject: [gmx-users] Nucleotides for charmm port
To: [email protected]
Message-ID: <[email protected]>
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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