[gmx-users] Re: air-water interface

[Vitaly Chaban]

> 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 ?


No difference since PBC works.


Dr. Vitaly V. Chaban