[gmx-users] Gromacs enquiry

Mark Abraham mark.j.abraham at gmail.com
Thu Aug 17 11:06:07 CEST 2017


There's numerous online resources that e.g. "membrane simulation in
gromacs" will let you search for. Those describe lots of alternative tools
that are suited for different force fields, membrane compositions,
simulation software... Do explore some of them and if you have follow-up
questions suited for GROMACS, please ask those here.


On Wed, Aug 16, 2017 at 6:20 PM Odame Agyapong <oagyapomg at gmail.com> wrote:

> My name is Odame and I am currently working on a project that requires
> molecular dynamics. I plan using GROMACS for my simulations.
> Specifically I would like to simulate a membrane protein in POPC, TFE,
> DPC and DHPC lipid layers.
> First, how do I build or obtain these lipid bilayers. Is there a
> software or online resource I can go to obtain them or gromacs package
> provides these lipids?
> Initially i tried a POPC simulation in GROMACS and was getting errors
> in topology outputs. I was therefore unable to continue to the next
> steps .Is there a tutorial specifically for simulating in these
> --
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