XAvier Periole wrote:
One solution would be to use tabulated potential for which the
analytical form does not matter.
Uh, sure, but the shape is still changing with different atom types. Am
I missing something?
Mark
hong bingbing wrote:
Dear all,
Has anyone tried to use 2 van de Waals interaction types in one
system? For example, the system includes two components A and B. The
van de Waas interaction for A is LJ type, while for B Buckingham form
is used. Can GROMACS support two forms simultaneously?
No. How would you describe the vdW interaction between an atom from A
and one from B?
If the reason for this question is based on a desire to mix two force
fields - don't.
Mark
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