VMD-L Mailing List
From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Wed Jun 07 2006 - 10:56:02 CDT
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Hi,
I was wondering if any of you experts could help me with a simple command.
I'd like to be able to get, from an Amber restart file, all the waters
within a distance (say, 3A) from a central molecule. I know how to do
thins in the GUI, byt using, for example, "same residue as within..."
.But, ideally, I want to do this without raising the whole VMD: maybe
just a shell script or even a one liner that can print out the residue
numbers to a separate file. Is that possible?
Thanks.
-- --------------------------------------------------------------------------------------------- Gustavo Seabra Postdoctoral Associate Quantum Theory Project University of Florida Registered Linux user number 381680 Say NO! to software patents: http://www.nosoftwarepatents.com --------------------------------------------------------------------------------------------- If at first you don't succeed... ...skydiving is not for you.
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