sonali dhindwal wrote:
Hello All,
I am new at MD, and i have started doing it few months ago only. I tried
to run some simulations but taking all the parameters using some
tutorials given online and have not got very good results.
Can someone please help in suggesting what is the best way to learn MD
using Gromacs in terms of manuals and literature, what should be
referred to do a start ?
I am sorry in advance if this query irritates someone, but any kind of
help will be highly appreciable.
The Gromacs manual is a fantastic resource, particularly the introductory
chapters.
Beyond that, have you tried Google? There are a number of great
introductory-type pages that discuss some of the more basic aspects of MD. You
might also find some help here:
http://en.wikipedia.org/wiki/Molecular_dynamics#References
I can attest to several of the books listed there (Allen & Tildesley, Leach, and
Schlick) being particularly useful. Beyond that, hopefully a supervisor or
colleagues will have some expertise and can recommend the requisite reading
material.
-Justin
Regards
--
Sonali Dhindwal
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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