[gmx-users] bond lenght distribution?
frankzack123 at yahoo.de
Mon Oct 12 15:16:15 CEST 2015
thx for your reply. I already read the page referenced in your link. I know that gmx bond is replaced by gmx distance. But its not the same. I need the particle distances of bonded particles only...
Justin Lemkul <jalemkul at vt.edu> schrieb am 2:43 Montag, 12.Oktober 2015:
On 10/11/15 7:23 PM, Frank Zack wrote:
> how can I compute the bond-lenght distribution of my trajectory? I used to use gmx bond, but now im using VERSION 5.0.7-dev-20151003-1909f2f-dirty and there is no such tool. I can only calculate inter-particle distances. But this is not the same as bondlengths.
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
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