[gmx-users] Fwd: i want to use water_detetor.pl script

[Mahboobe Sadr]

I used spc water and the command was :

 perl water_deletor.pl -in bilayer.gro -out bilayer_fix.gro -ref N4
-middle C50 -water 3 -v yes

Regards

M.Sadr


On Thu, Jun 25, 2015 at 4:50 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 6/24/15 8:53 AM, Mahboobe Sadr wrote:
>
>> I tried this script with ref atom O11 and also with N4 of DPPC, but it
>> cleaned waters between leaflets and also waters below the bottom leaflet,
>> what's the wrong?
>>
>>
> No idea.  What was your exact command?  I wrote the script years ago and
> used it probably once or twice; it's entirely possible that there are bugs
> that need to be fixed.
>
>
> -Justin
>
> --
> ==================================================
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
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