[gmx-users] Coordinate file for lipid bilayer

Felipe Pineda, PhD luis.pinedadecastro at lnu.se
Thu Oct 4 15:23:59 CEST 2012


packmol generates just coordinates (pdb format) for optimized packing 
arrangements of whatever molecule you provide as input. It's up to you 
to parameterize the resulting model. CHARMM-GUI has a library of 
conventional (phospho)lipids and generates the input for CHARMM 
equilibration of the bilayer model built with those lipids. But, you 
should inspect by yourself the corresponding sites.


On 10/04/2012 03:11 PM, James Starlight wrote:
> Dear Felipe,
> thanks for advise. Does the Packmol software suitable for generation
> coordinates of the bergers ( for gromos 56 ff) lipids ? As I know
> CHARMM-GUI membrane builder is suitable for only CHARMM force field
> lipids.
> James

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