[gmx-users] Adding a new molecule

Ramachandra Rao Gullapalli rrg142 at psu.edu
Tue Feb 22 07:18:23 CET 2005

Dear Dr Spoel
This may seem like a very stupid question, but how do i build the topology for a
new molecule, like a dye which im trying to simulate within the lipid bilayer? 
Having built the topology and the coordinate files, how do i incorporate the dye
molecule in the lipid bilayer?
Thank you very much for your time

The important thing is not to stop questioning. Curiosity has its own reason for existing...

More information about the gromacs.org_gmx-users mailing list