On 8/24/13 9:26 PM, The One And Only wrote:
that's something i know nothing about; I just graduated from high school
and I have no background or experience in open source projects or programs
like pymol/gromacs. My professor wants me to be able to produce a setup,
simulation, and analysis within a week so I'm pretty desperate right now in
terms of getting help. Do you know how to get the right .pdb file in my
working directory?


Rudimentary Unix commands like cp and mv are covered in any Unix/Linux tutorial. Google can find lots of good ones. Producing a quality simulation cannot be rushed, and if you don't know the fundamentals of navigating the command line and directory structure, it's nearly impossible. You need to invest time in learning the environment before doing anything, I'm afraid. Just to give a bit of perspective, we used to train our undergrads for nearly a full semester (at least 2-3 months) before requiring them to do any "real" work. At least a week or two of that time was spent getting used to command line and Linux in general.

-Justin

--
==================================================

Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441

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