[gmx-users] how to define wall-atomtype?

[Ming Tang]

Dear all,

I want to pull a collagen in NPT using direction-periodic, and have to use pbc=xy with wall. I checked both manual and .mdp options and searched mailing lists regarding wall definition in google, but am still have no idea how to define wall-atomtype. I want to use 12-6 wall type. Could anybody give me some suggestions?

Thanks in advance.