[gmx-users] CLAYFF in GROMACS

Fabienne Bessac fabienne.bessac at irsamc.ups-tlse.fr
Fri Jun 5 13:33:06 CEST 2015


Dear all,

 

  I would like to simulate clay mineral with Gromacs and use the CLAYFF
force filed.

How should I do knowing that the parameters are published ? Or anyone has
already entered those parameters in the Gromacs format ?

 

Thanks in advance for your answer,

 

Fabienne.



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