[gmx-users] perl water_deletor.pl

Quyen Vu Van vuqv.phys at gmail.com
Fri Jan 18 14:48:06 CET 2019


Hi,
I think you can write your script to delete it by defining the center of
liposome and  searching for water molecules in a range of hydrophobic
radius from that center
I suggest awk scripting language
Best,
Quyen

On Fri, Jan 18, 2019 at 9:30 AM rabee khorram <rabeeh.khorram at gmail.com>
wrote:

> *Hello everyone, *
> *I am running liposome structure with gromacs 5.*
> *this liposome created with Packmol software(without water molecules).*
> *after Solvating liposome with water in gromacs, I need to remove waters
> from hydrophobic region.*
>
> *is these  any "perl water_deletor.pl <http://water_deletor.pl> " script
> for this structure?*
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