[gmx-users] PBC

[mah maz]

I thought so :D
Thanks!

On Thu, Oct 8, 2015 at 9:37 AM, mah maz <mahmaz71 at gmail.com> wrote:

> Hi Mark
>
> Thank you. I suppose grid can be used without PBC specially when the
> system is in vacuum.
> There are some parameters in the .mdp file that I haven't defined and I
> don't want them to be applied during simulation. However in the mdout.mdp
> They are present eg. gen-seed, emtol, ewald-rtol,.... Do they play a role
> in the simulation?
>
> Thanks!
>
> On Mon, Oct 5, 2015 at 2:26 PM, mah maz <mahmaz71 at gmail.com> wrote:
>
>> Hi Mark,
>> Thanks. It seems the default is pbc =xyz. But my question is if I don't
>> use PBC, can I use grid, or grid is only meaningful when PBC is defined?
>>
>> On Mon, Oct 5, 2015 at 11:07 AM, mah maz <mahmaz71 at gmail.com> wrote:
>>
>>> Dear users,
>>>
>>> If I dont define pbc=no, what is the default type for gromacs? Is it
>>> right if I dont use pbc=no in my system while using grid for ns-type?
>>>
>>> thank you.
>>>
>>
>>
>