[gmx-users] wrap only in XZ?

Albert mailmd2011 at gmail.com
Sun Jun 26 09:10:59 CEST 2016


Sorry made a mistake in typing. I only would like to wrap in XY, not XZ. 
Leaving the Z unwrap.

Rotate the system along which axis for 90 degree?

I see some people use "wall" + PBC in XY only. However, it needs to 
define "wall_atomtype", I don't know how to define this....

THX



On 06/26/2016 09:06 AM, Tsjerk Wassenaar wrote:
> Hi Albert,
>
> Rotate the system 90 degrees and use PBC in xy only.
>
> Cheers,
>
> Tsjerk



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