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

XAvier Periole x.periole at rug.nl
Tue Dec 8 10:52:00 CET 2009

One solution would be to use tabulated potential for which the
analytical form does not matter.

On Dec 8, 2009, at 4:29 AM, Mark Abraham wrote:

> 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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