[gmx-users] Re: Simulation problem with extended membrane system!

chris.neale at utoronto.ca chris.neale at utoronto.ca
Tue Sep 12 01:11:19 CEST 2006


I just remembered that I previously posted a script to assist in removing waters
based on their z position:

http://www.gromacs.org/pipermail/gmx-users/2006-May/021526.html


>Back to the previous question, after solvate the lipids in water, can I
>remove the water placed in the membrane with excel instead of script? Cause
>with editconf we can know the z dimension of the lipids_only system, let's
>say 6, so if I center the whole system with 0 0 0, the water molecules with
>z coordinates below 3 and above -3 will be excluded. If I'm right, I think
>excel can do it too, or the scripts have some advantages?



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