Re: Sevoflurane parameters (psf file)

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Mon May 06 2013 - 03:42:42 CDT

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Hi Mikhail,

You might also be interested in the parameterization work we did on isoflurane:
http://www.ncbi.nlm.nih.gov/pubmed/19924847

Cheers,
Jerome

----- Original Message -----
>
> Dear Branko,
>
>
> Thank you for your answer.
> Have a nice weekend.
>
>
> Cheers,
> Mikhail
>
>
>
> On 3 May 2013 19:14, Branko < bdrakuli_at_chem.bg.ac.rs > wrote:
>
>
> Mikhail,
>
> See the http://mackerell.umaryland. edu/CHARMM_ff_params.html ,
> parameters for both ethers ant CF3 ethanol can be found there
>
> Branko
>
>
>
> On 5/3/2013 4:41 PM, Mikhail Suyetin wrote:
>
>
> Dear Namd Users,
>
> Hope everything goes fine.
>
> I would like to ask you does anybody have parameters for psf file for
> Sevoflurane?
> Here details about this molecule:
> http://en.wikipedia.org/wiki/ Sevoflurane
> http://www.drugbank.ca/drugs/ DB01236
>
> Thank you.
> Mikhail
>
>
>

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