[gmx-users] Comm-mode

[Amin Rouy]

Thank you Justin.
What if we do not know the phase of the final result? of if we are in 2
phase region (gas-liquid)

On Sat, Mar 10, 2018 at 6:25 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 3/10/18 12:17 PM, Amin Rouy wrote:
>
>> Dear Gromacs people,
>>
>> I have a question please.
>>
>> In which condition we must use center of mass removal? Is that optional or
>> necessary?
>>
>
> Typically necessary.
>
> and how to know which mode (linear or angular) is better for our
>> simulations?
>>
>
> Linear is only for condensed-phase systems, angular is only for vacuum
> simulations.
>
> -Justin
>
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