[gmx-users] air-water interface

[Mark Abraham]

On 2/12/2010 12:30 AM, 铁锋 彭 wrote:
> Hi, everyone
> I find that i used T and P coupling in water-air interface, that is 
> the reason my system imploded.
> So i changed to NVT. But there are still fatal errors.
> I have some questions concerning  .gro file.
> for example in spc216.gro, there are both + and - psotions. But in 
> other .gro file, all is + postion.
> What is the difference between .gro ?
>

If the system is periodic, what does the sign matter?

Mark
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