[gmx-users] GMX5.0 g_select

[xy21hb]

Dear Gmxers,

What I meant is to use the result of  "g_select" as index to calculate e.g. g_hbond,
Since if I simply use "-n" the g_select index, it will give the selected water in each frame.
But then how I can average them in gromacs automatically?

Thanks,

Yao







At 2015-03-07 06:27:49, "Mark Abraham" <mark.j.abraham at gmail.com> wrote:
>Yes, it can. I suspect that's even one of the examples in the selection
>help.
>
>Mark
>On 06/03/2015 3:43 pm, "xy21hb" <xy21hb at 163.com> wrote:
>
>> Dear GMXers,
>> >
>> >
>> > I wonder if g_select in GMX5.0 can select some distance e.g. 5A of the
>> solvent e.g. water w.r.t. a protein dynamically,since different numbers of
>> the solvent in each time frame should be observed.
>>
>> Thanks,
>>
>>
>> Yao
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