VMD-L Mailing List

From: Udit Aswal (udit0000_at_gmail.com)
Date: Fri Mar 31 2017 - 04:32:20 CDT

Dear Ramon,
"exwithin" still shows the same result. I am attaching the screenshot of it
with the distance shown.

Regards
Udit

[image: Inline image 2][image: Inline image 4]

On Fri, Mar 31, 2017 at 1:44 PM, Ramon Guixà <ramonguixxa_at_gmail.com> wrote:

> Hi Udit, using 'exwithin' instead of 'within' should do the trick.
>
> Ramon
>
>
>
> On 31 Mar 2017 09:26, "Udit Aswal" <udit0000_at_gmail.com> wrote:
>
> Hello,
> I am trying to do vicinity analysis of phosphorus atoms(present in a DPPC
> molecule head group) around any specific residue.
> The problem I am facing is that instead of looking for only phosphorus
> atoms, if, within that vicinity there is any other atom of the same DPPC
> residue, then it also 'counts it' as the phosphorus atom of the same DPPC
> residue even if that P atom is not within the vicinity.
> It would be really helpful if someone could tell me the way to fix this.
>
> The command i am giving is-
> "name P and same residue as (within 5 of resid 40)"
>
>
> Regards
>
>
>


image.png image.png