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

[Justin Lemkul]

On 3/31/14, 12:16 PM, Dr. Vitaly Chaban wrote:
> Exactly. So is there any chance to circumvent the problem?
>
>
> Function type Fourier Dih. not implemented in ip_pert
>

You'd have to extend the code to allow for perturbing that dihedral type.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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