VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Aug 24 2011 - 15:57:59 CDT

On Wed, Aug 24, 2011 at 3:53 PM, Anna <mol.dynamics_at_yahoo.com> wrote:
> I apologise for repeated messages to the vmd list, but it always says that
> my message cannot be delivered and I get a mailer daemon message saying I
> tried, but ... So I gave up. Is this only me or do other members get this as
> well?
>

have a _very_ close look that the message that you get.
most likely, this is _not_ from the vmd-l mail server, but
from some subscriber that has an overfull mailbox or
didn't unsubscribe before graduating, changing jobs and/or
changing e-mail accounts.

now, if the mail server was set up properly, you would
not see this e-mail, as it would go to the mailing list
server that knows how to deal with it. but for badly run
machines (and god knows, there is a _ton_ of them out
there in the wild), this does not always work.

for the most part. you can just flag them as spam
and sooner or later, you won't see them anymore.

cheers,
    axel.
>
>
> On 24 Aug 2011, at 18:34, Anna <mol.dynamics_at_yahoo.com> wrote:
>
>
>
>
>
>
> Begin forwarded message:
>
> From: Anna <mol.dynamics_at_yahoo.com>
> Date: 24 August 2011 17:48:38 GMT+01:00
> To: VMD list <vmd-l_at_ks.uiuc.edu>
> Subject: Initial configuration reorientation
>
>
>
>
> Dear vmd developers/users!
>
> I need to orientate cylinder-shaped polymers in order to simulate them with
> LAMMPS, and I was given data for their initial orientation and position from
> other experiments.
> I have the following information:  the coordinate (r) centre and orientation
> vector (n) of long axis.
>
> chain one: r1_x;  r1_y;  r1_z;  n1_x;  n1_y;  n1_z
> chain two: r2_x;  r2_y;  r2_z;  n2_x;  n2_y;  n2_z
>
> chain 1:   -0.8; -2.1; 0.5; -0.07; 0.8; 0.5
> chain 2:    2.6; 1.9; -2.2; -0.08; 0.9; 0.4
>
> I am confused as to how I can approach this problem using vmd.
>
> Thank you in advance for any input!
>
>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.