Re: octahedral period BCs

From: Peter Jones (Peter.Jones-2_at_uts.edu.au)
Date: Wed Jul 07 2004 - 21:34:52 CDT

Hi Anna,

no I haven't, I was hoping someone would answer you!

regards,

Peter

On Thursday, July 8, 2004, at 12:45 AM, Anna Modzelewska wrote:

> Hi Peter,
> I have the same problem, I sent a message on namd-l, but nobody has
> answered. Did you find the way to define this type of cell? If yes,
> please,
> explain me how to do it!
> Regards
> Anna
>
>
> ----- Original Message -----
> From: "Peter Jones" <Peter.Jones-2_at_uts.edu.au>
> To: <namd-l_at_ks.uiuc.edu>
> Sent: Friday, March 12, 2004 4:01 PM
> Subject: namd-l: octahedral period BCs
>
>
>> Hi all,
>>
>> I wonder if anyone could explain how one defines hexagonal unit cell
>> shapes when using periodic boundary conditions in NAMD, or direct me
>> to
>> a suitable reference,
>>
>> thanks again,
>>
>> Peter
>>
>>
>>
>>
>>
>> Peter Jones Ph.D.
>> Research Fellow
>> Department of Cell and Molecular Biology
>> University of Technology Sydney
>> Westbourne Street
>> Gore Hill N.S.W. 2065
>> Australia
>>
>> Tel: 61-2-9514 4105
>> FAX: 61-2-9514 4026
>> email: Peter.Jones-2_at_uts.edu.au
>>
>>
>
>

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