VMD-L Mailing List

From: Anna (mol.dynamics_at_yahoo.com)
Date: Wed Aug 24 2011 - 14:53:46 CDT

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?

On 24 Aug 2011, at 18:34, Anna <mol.dynamics_at_yahoo.com> wrote:

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> Begin forwarded message:
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>> 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
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>>>
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>>> 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!
>>>
>>>