Re: Sevoflurane parameters (psf file)

From: Mikhail Suyetin (msuyetin_at_gmail.com)
Date: Mon May 06 2013 - 13:25:38 CDT

Hi Jerome,

Thank you for the paper!

Cheers.
Mikhail

On 6 May 2013 09:42, Jrme Hnin <jerome.henin_at_ibpc.fr> wrote:

> 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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