[gmx-users] GROMOS Topology files for DSPC

[Thomas Piggot]

Hi,

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.

Cheers

Tom

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.