th probably don't match exactly what Charmm does.
>>>> Since the switching range is so long and this is where a large part
>>>> of the dispersion attraction acts, this might have a large effect on
>>>> the area.
>>>>
>>>> Berk
>>>
100
From: t.pig...@soton.ac.uk <mailto:t.pig...@soton.ac.uk>
To: gmx-users@gromacs.org <mailto:gmx-users@gromacs.org>
Subject: Re: [gmx-users] CHARMM36 lipid bilayers
Hi Sven,
I have also seen similar things from the area per lipid of the bilayers
I have run (POPC and DPPC). I would sugge
ong and this is where a large part
>>> of the dispersion attraction acts, this might have a large effect on
>>> the area.
>>>
>>> Berk
>>>
>>>> Date: Thu, 21 Oct 2010 16:47:21 +0100
>>>> From: t.pig...@soton.ac.uk
>>>
7:21 +0100
From: t.pig...@soton.ac.uk
To: gmx-users@gromacs.org
Subject: Re: [gmx-users] CHARMM36 lipid bilayers
Hi Sven,
I have also seen similar things from the area per lipid of the bilayers
I have run (POPC and DPPC). I would suggest you try running with the
CHARMM TIP3P water (tips3p.itp) and
ton.ac.uk
> > To: gmx-users@gromacs.org
> > Subject: Re: [gmx-users] CHARMM36 lipid bilayers
> >
> > Hi Sven,
> >
> > I have also seen similar things from the area per lipid of the bilayers
> > I have run (POPC and DPPC). I would suggest you try running w
have a large effect on the area.
Berk
> Date: Thu, 21 Oct 2010 16:47:21 +0100
> From: t.pig...@soton.ac.uk
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] CHARMM36 lipid bilayers
>
> Hi Sven,
>
> I have also seen similar things from the area per lipid of the bi
Hi Sven,
I have also seen similar things from the area per lipid of the bilayers
I have run (POPC and DPPC). I would suggest you try running with the
CHARMM TIP3P water (tips3p.itp) and see if you get values which are
closer to the ones published in the paper you mention. This will be
discussed i
settings in Gromacs.
> What Charmm settings are you trying to mimic?
>
> Berk
>
> > Date: Thu, 21 Oct 2010 15:03:51 +0200
> > From: jakobtorwei...@tuhh.de
> > To: gmx-users@gromacs.org
> > Subject: [gmx-users] CHARMM36 lipid bilayers
> >
> > Dear gmx-us
Hi,
You have very strange and complex cut-off settings in Gromacs.
What Charmm settings are you trying to mimic?
Berk
> Date: Thu, 21 Oct 2010 15:03:51 +0200
> From: jakobtorwei...@tuhh.de
> To: gmx-users@gromacs.org
> Subject: [gmx-users] CHARMM36 lipid bilayers
>
&
Dear gmx-users,
recently Pär Bjelkmar and Thomas Piggot have generated force field files
for Charmm36 lipids. I run some simulations to find the best run
parameters and to check if the results of the original Charmm36 lipid
article [Klauda et al., J. Phys Chem. B, 2010, 114, 7830) can be
reproduce
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