[gmx-users] New Molecule Topology

Todor Antonijevic t_antoni at uncg.edu
Wed May 28 19:33:54 CEST 2014


Hi,

I would like to create a topology file for cholesteryl oleate molecule.
Is it a good practice to use PRODRG server to generate all connections, and
then to change atom types and parameters according to the Berger force
field?

Is there a better approach?

Thanks,

Anton


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