[gmx-users] protein-SWCNT md simulation

[Atila Petrosian]

Dear Justin

Very thanks for your quick reply.

I have another question.

Can I use OPLS-AA force field for both of protein and SWCNT in
simulation of the protein-SWCNT complex in water? On the other hand,
is OPLS-AA a suitable force field for SWCNT simulation?

Other than OPLS-AA, which force fields are suitable for simulation of
the protein-SWCNT complex in water?

Best regards