[gmx-users] grompp error : Atomtype CAro not found

Atila Petrosian atila.petrosian at gmail.com
Tue Mar 3 08:53:51 CET 2020


Dear Justin and Dallas,

Thanks for your answers. I am so confused. I am beginner in MD simulation
of lipid + small molecule.

'' There are far better options for lipids than the old Berger parameters
used in the tutorial. I wrote the tutorial in 2008 and it reflected a
common protocol at the time ''.
Justin, please suggest me better parameter for lipids, exactly (point out
the web site).

'' Since you are using ATB to generate the topology for your small
molecule, then it stands to reason that you then should use ATB for the
lipid molecule. '' Dallas, are you sure ATB can be used for lipids ???

Best,
Atila


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