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