[gmx-users] Re: Charmm 36 forcefield with verlet cut-off scheme

[Justin Lemkul]

On 9/19/13 9:55 PM, akk5r wrote:
> Thanks Justin. I was told that the "vdwtype = switch" was an essential
> component of running Charmm36. Is that not the case?
>

It is, but I suppose one can achieve a similar effect with the Verlet scheme. 
You can certainly use the traditional CHARMM settings if you use the group 
scheme, instead.  The vdw-modifier setting should give you a comparable result, 
but I have never tried it myself.

-Justin

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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