[gmx-users] Fwd: i want to use water_detetor.pl script

[Justin Lemkul]

On 6/24/15 8:53 AM, Mahboobe Sadr wrote:
> I tried this script with ref atom O11 and also with N4 of DPPC, but it
> cleaned waters between leaflets and also waters below the bottom leaflet,
> what's the wrong?
>

No idea.  What was your exact command?  I wrote the script years ago and used it 
probably once or twice; it's entirely possible that there are bugs that need to 
be fixed.

-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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