[gmx-users] Two Types of van de Waals interactions in one system

Mark Abraham Mark.Abraham at anu.edu.au
Wed Dec 9 03:11:52 CET 2009

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?


>> 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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