[gmx-users] bond lenght distribution?

Frank Zack frankzack123 at yahoo.de
Mon Oct 12 15:16:15 CEST 2015

Hi justin,
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:
> Hi,
> 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

Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.


More information about the gromacs.org_gmx-users mailing list