VMD-L Mailing List

From: Peter Mawanga (peter.mawanga.lagos_at_gmail.com)
Date: Mon Jun 04 2018 - 11:58:32 CDT

Hello Joshua

Although that should usually be the case, but sometimes the residues are
not in the sequential order (as per the index output).

However, they (residues) do form a contiguous block of residue numbers for
a particular molecule (as they are expected to), which could be further
verified by adding additional selection parameter(s), such as: resname,
segname, name etc., to ensure the output is in a neat sequential format and
correct.

On Mon, Jun 4, 2018 at 10:16 PM, Vermaas, Joshua <Joshua.Vermaas_at_nrel.gov>
wrote:

> Hi Peter,
>
> The order is the exact same as the output of "$sel get index", which will
> be in sequential index order.
>
> -Josh
>
>
>
> On 2018-06-04 10:34:26-06:00 owner-vmd-l_at_ks.uiuc.edu wrote:
>
> Hello to all
> Is there any way of printing the "residue" number or atom "index" along
> with the "rmsf" output?
> "measure rmsf" generates single row values and I want to know (or rather
> be sure) the order in which they are being written in the output file.
> --
> Cheers
> Peter
>
> 

-- 
Cheers
Peter