[gmx-users] editconf -box a b c
Justin Lemkul
jalemkul at vt.edu
Wed Mar 19 22:37:27 CET 2014
On 3/19/14, 5:31 PM, ehs wrote:
> Thanks Justin. You meant the values of b and c does not matter at all?
>
That depends. You haven't shown us your full command (hint: always do that),
but my guess is you're setting -bt cubic, in which case the last two numbers are
ignored because, by definition, they can't be different from the first.
-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 601
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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