AMBER Archive (2006)

Subject: Re: AMBER: Constant P for non-orthorhombic cells

From: Jennie Thomas (jenniet_at_uci.edu)
Date: Wed Apr 12 2006 - 13:36:47 CDT


Thank you very much.

Jennie

Michael Crowley wrote:

>Dear Jennie,
>Amber supports any space filling unit cell, the only requirement is that the
>user make sure that it is converted to a triclinic cell with correct angles
>and primary vector lengths. Certainly a rhombohedral box is supported.
>Your inpcrd should end with the appropriate cell dimensions and angles.
>Mike
>On Tuesday 11 April 2006 21:40, Jennie Thomas wrote:
>
>
>>Hello Amber community members,
>>
>>I'm thinking of doing a simulation with PBC for a crystal that has a
>>non-orthorhombic unit cell. Does Amber support constant P simulations
>>for boxes without 90 degree angles (specifically for a rhombohedral box)?
>>
>>With thanks,
>>Jennie Thomas
>>-----------------------------------------------------------------------
>>The AMBER Mail Reflector
>>To post, send mail to amber_at_scripps.edu
>>To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>>
>>
>
>
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu