[gmx-users] Force-switch algorithm

[Justin Lemkul]

On 1/1/16 2:17 PM, Pallavi Banerjee wrote:
> Hello users,
>
> I wanted to know the algorithm of the option 'force-switch' that is used as
> a vdw modifier. This is because I want to include this option for VdW
> interactions that I provide in a tabular format. But this option is not
> accepted with tabulated interactions. Is there a reference that would have
> this algorithm provided?
>

It is described in full in manual section 4.1.5 of the version 5.1 manual.

-Justin

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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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