[gmx-users] Adding a new molecule

Ramachandra Rao Gullapalli rrg142 at psu.edu
Tue Feb 22 06:11:57 CET 2005

Hi all
I am a beginner to MD simulations and am using gromacs to simulate a lipid
bilayer. I tried finding information regarding this question in the archives,
but couldnt.
I would like to to add a different kind of lipid molecule to a DMPC lipid
bilayer.I have built the molecule using gaussview,and used babel to convert it
to pdb format.I now need to incorporate this in the lipid bilayer. How do i do
Also, for a molecule which i built in gaussview, how do i build the topology
files? do i just use pdb2gmx?
Thank you very much

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