[gmx-users] Function type Fourier Dih. not implemented in ip_pert

[Dr. Vitaly Chaban]

Exactly. So is there any chance to circumvent the problem?


Function type Fourier Dih. not implemented in ip_pert


Dr. Vitaly V. Chaban


On Mon, Mar 31, 2014 at 5:49 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> On 3/31/14, 11:35 AM, Dr. Vitaly Chaban wrote:
>>
>> Since I do not couple intramolecular interactions, why those dihedrals
>> play any role?
>>
>
> The couple-intramol option only applies to intramolecular nonbonded
> interactions.
>
> -Justin
>
> --
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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