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

[Zhe Wu]

I agree with that. But I don't know why, when using tabulated
potential, I cannot even get a box of LJ particles to have energy
conservation in NVE. Anyone has some idea?

Zhe

On Tue, Dec 8, 2009 at 3:52 AM, XAvier Periole <x.periole at rug.nl> wrote:
>
> 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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