[gmx-users] wall problem

Albert mailmd2011 at gmail.com
Fri Jan 31 16:43:00 CET 2014

Hi Justin:

many thanks for your pointing out.

I don't have any experiences on which wall_atomtype I should specify. 
Here I found some one is using wall:


but I don't know how he choose it.

My system is a membrane system which is mixed with POPC/POPG lipids. I 
am planning to prevent atoms wrap in Z directions.... Do you have any 
sugguestions which wall_atomtype would be good for my case?

thank you very much.


On 01/29/2014 05:27 PM, Justin Lemkul wrote:
> If you want to use walls, you need to specify wall_atomtype, which 
> (per the error message), you did not.
> -Justin 

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