[gmx-users] Fw: question about kalp15 simulation in dppc

[Justin Lemkul]

On 9/28/15 4:12 PM, ‪neda razavi‬ ‪ wrote:
>
>      ----- Forwarded Message -----
>    From: ‪neda razavi‬ ‪ <razavineda22 at yahoo.com>
>   To: "gmx-users at gromacs.org" <gmx-users at gromacs.org>
>   Sent: Monday, 28 September 2015, 22:47:10
>   Subject: question about kalp15 simulation in dppc
>
> in simulation of kalp15 in Dppc why should we remove the initial periodicity of kalp15 before packing the lipids around the protein?
>

Because InflateGRO can't handle broken molecules.

-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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