[gmx-users] GROMOS Topology files for DSPC
t.piggot at soton.ac.uk
Sun Feb 28 12:39:29 CET 2016
I'm not exactly sure by which force field you are referring to when you
just say GROMOS 53A6. In terms of lipids this could mean one of a few
force fields, e.g. standard 53A6 (which you shouldn't use for lipids),
53A6L/54A7, Kukol, etc. That said, for all of the cases you can simply
take a corresponding DPPC topology and add on two extra CH2 united-atoms
into each of the tails. The extra parameters needed will be trivial to
add by analogy.
On 28/02/16 02:38, John Smith wrote:
> I am looking to run united-atom simulations involving the lipid DSPC (18:0/18:0 PC). I seek to run these with the GROMOS 53a6 force field. Does anybody have topology (itp) files for this molecule? I checked lipidbook and the previous literature but unfortunately could not locate the necessary files.
Dr Thomas Piggot
University of Southampton, UK.
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