[gmx-users] Re: Reaction field zero and ions

[Justin Lemkul]

On 11/11/13 12:08 PM, Williams Ernesto Miranda Delgado wrote:
> Hello
> If I did the MD simulation using PME and neutralized with ions, and I want
> to rerun this time with reaction field zero, is there any problem if I
> keep the ions? This is for LIE calculation. I am using AMBER99SB.

Why do you think it necessary to delete them?

-Justin

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

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

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