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 bilayers
I have run (POPC and DPPC). I
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
Date: Thu, 21 Oct 2010 16:47:21 +0100
From: t.pig...@soton.ac.uk
To: gmx-users@gromacs.org
Subject: Re: [gmx-users
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 see if you
long 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
To: gmx-users@gromacs.org
Subject: Re: [gmx-users] CHARMM36 lipid bilayers
Hi Sven,
I have also
...@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 suggest you try running
a large effect on
the area.
Berk
Date: Thu, 21 Oct 2010 16:47:21 +0100
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
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
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
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