[gmx-users] adding water

Derrick Guang Yuh Lee k24dgyl at morgan.ucs.mun.ca
Tue Aug 19 03:35:01 CEST 2003

dear dallas

thank you for the information, a quick question about it. tbere would be
no problem with removing the water molecules added by genbox, but how do i
add the water molecules? and is there any way to control how many are
added? thanks again.

 - derrick

 derrick Lee
 faculty of Science
 Memorial University of Newfoundland
 k24dgyl at mun.ca or derrickglee at hotmail.com
"a teacher is never a giver of truth - he is a guide, a pointer to the
truth that each student must find for himself. a good teacher is merely a
                                                              - bruce lee

On Tue, 19 Aug 2003, Dallas Warren wrote:

> >unfortunately, i do not know the appropriate command to add the water
> >molecules or have then underneath my DPPC monolayer. again, if anyone can
> >help, it would be appreciated.
> There isn't one within the GROMACS tools.  You need to make your own script 
> to either add the waters or remove those added by genbox in the incorrect 
> place.
> Catch ya,
> Dr. Dallas Warren
> Research Fellow
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9083
> --------------------------------------------------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a nail.

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