[gmx-users] Generate topology file for Gromacs a from Accelrys or pdb file

Tandia, Adama TandiaA at Corning.com
Tue Feb 12 16:22:42 CET 2008

Dear ALL,

I have generated from Accelrys (Materials Studio) a structure composed
of a substrate topped by a layer of organic molecules. The structure can
be saved into a .pdb format.

Is there out there a tool that I could use to generate the corresponding
topology file for Gromacs?

Thank you in advance for your help.


Adama Tandia
Modeling & Simulation
Corning INC
Corning, NY USA

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