[gmx-users] Analysis tools and triclinic boxes

Justin Lemkul jalemkul at vt.edu
Mon Nov 4 19:32:52 CET 2013



On 11/4/13 1:29 PM, Stephanie Teich-McGoldrick wrote:
> Dear all,
>
> I am using gromacs 4.6.3 with a triclinic box. Based on the manual and mail
> list, it is my understanding that the default box shape in gromacs in a
> triclinic box. Can I assume that all the analysis tools also work for a
> triclinic box.
>

All analysis tools should work correctly for all box types.  Is there a specific 
issue you are having, or just speculation?

-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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