[gmx-users] Problem interprating the results

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Nov 1 11:57:50 CET 2006

Hi Nur,

Please do not reply to a digest, including the whole thing, especially
not if you don't reply to any post in there and change the title. That
said, you'll surely agree that it doesn't really work if you state
<interpretation class="personal">I need to do a simulation, but would
like somebody else to do it for me</interpretation>. If you want to
get started with MD, first follow a tutorial, like this one:
and be sure to understand every step taken there. Then think of what
you want to learn from your simulation. That determines a large part
of your setup. Read some background on MD, on Gromacs (the manual, for
instance) and articles using MD in a way related to your research
question. Then, if you think you understand what you are doing, but it
doesn't work out the way you expect, try to search the mailing list
archive to see if anyone has met the same problem. And IF that doesn't
provide you with an answer OR leaves you with some questions, please
post a well-described question on this list, and surely, one of the
people on this list will devote some of his precious private time to
provide you with an answer to help you increase your understanding of


Tsjerk A. Wassenaar, Ph.D.
Utrecht University, The Netherlands

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