[gmx-users] bond lenght distribution?

[Mark Abraham]

Hi,

You'll need to be more specific. What exact call to g_bond are you saying
can't be replicated in later versions? What have you tried?

Mark

On Mon, Oct 12, 2015 at 3:16 PM Frank Zack <frankzack123 at yahoo.de> wrote:

> 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.
>
> http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0#g_bond
>
> -Justin
>
> --
> ==================================================
>
> 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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