[gmx-users] Typo for atom in charmm36-jul2017 ff for residue NAI

[João Henriques]

Good to know, thanks.

J

On Wed, Nov 8, 2017 at 12:54 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/8/17 5:52 AM, João Henriques wrote:
>
>> Hi Johannes,
>>
>> I'd suggest contacting someone at the MacKerell Lab instead. I believe
>> they
>> are responsible for the FF and for its maintenance. Otherwise this issue
>> might get lost here and never make it to the people that absolutely need
>> to
>> know about it.
>>
>
> I'm responsible for the GROMACS port of the CHARMM force field, so for
> issues like these this mailing list or my personal email work fine.
> Probably best to post here so people know if there are problems.
>
> Look at the original paper and send an email to the corresponding authors:
>> http://www.nature.com/nmeth/journal/v14/n1/full/nmeth.4067.html
>>
>
> Nothing to do with NAD, but people can always contact Alex with force
> field questions. But if he sees the word "GROMACS" anywhere in it, all he
> does is forward it to me :)
>
> -Justin
>
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