[gmx-users] wall problem
t.piggot at soton.ac.uk
Fri Jan 31 18:11:03 CET 2014
I cannot provide help regarding the walls, but I just wanted to say that
you should be aware that there are several other ways to achieve what
you are trying to do. I think creating a 'vacuum layer' has already been
suggested to you before, but another possibility is the use of a double
membrane system. Depending upon your needs, either of these two may be
easier for you to setup.
On 01/31/2014 03:41 PM, Albert wrote:
> 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.
Dr Thomas Piggot
University of Southampton, UK.
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