[gmx-users] Gromos96 53a6 and Berger Lipids

[Piggot T.]

Hi Moritz,

For PG, issues with the Kukol parameters are briefly mentioned in the Supporting Info of:

http://pubs.acs.org/doi/abs/10.1021/jp207013v

some of which (in particular the dihedrals around the double bond) are discussed in more detail for POPC in:

http://pubs.acs.org/doi/abs/10.1021/ct3003157

The latter of which also compares lipid force fields for DPPC and POPC simulations (including Berger).

Cheers

Tom
________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Kindlein, Moritz [moritz.kindlein at tum.de]
Sent: 26 January 2016 09:31
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] Gromos96 53a6 and Berger Lipids

Hi Tom, hi all,

thanks a lot for your answer, it helped a lot.
Regarding the issues with some of the other lipid parameters provided in the Kukol paper (POPC/POPG parameters), I would be happy if you could point me to the papers you have in mind.

Best regards and have a nice day,
Moritz

------------------------------------------------------------
Technische Universität München
Moritz Kindlein, M.Sc.
Fakultät Wissenschaftszentum Weihenstephan
Lehrstuhl für Systemverfahrenstechnik
Gregor-Mendel-Straße 4
85354 Freising
Raum: EG 32
Tel: + 49.8161.71.3727
Fax: + 49.8161.71.4510
moritz.kindlein at tum.de<mailto:moritz.kindlein at tum.de>
www.wzw.tum.de/svt<http://www.wzw.tum.de/svt>
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