[gmx-users] GROMOS Topology files for DSPC

Thomas Piggot 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:
> Hello,
> 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.
> Thanks,John
>     -

Dr Thomas Piggot
University of Southampton, UK.

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