[gmx-users] File editing - only one layer of water around a molecule

Lara Bunte lara.bunte at yahoo.de
Wed Apr 4 11:27:25 CEST 2012


I have a question about editing a pdb file.

I have a molecule in a box of water as a pdb file. I want to remove all water except of ONE layer around he molecule.  How to do that? 

Do you know a software that is able to do that? Do you know how it could work with programs like PyMol or others?

Thanks for help

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