For future reference of others that may struggle with g_select, it would be a very good idea for you to put on the emailing list how you achieved it.
Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Yun Shi Sent: Tuesday, 3 April 2012 9:58 AM To: Discussion list for GROMACS users Subject: [gmx-users] Re: how to g_select bound water molecules Never mind. I got it. On Mon, Apr 2, 2012 at 4:20 PM, Yun Shi <yunsh...@gmail.com<mailto:yunsh...@gmail.com>> wrote: Hello all, Can anyone tell me how to get in "help examples" in g_select by typing some commands? Anyway, I want to select bound waters between my ligand and protein using -select 'resname SOL & within 0.5 ...'. Any idea? Thanks for any suggestion. Yun
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