ms skrev:
On 11/05/10 05:17, sonali dhindwal wrote:
Thanks a lot for your replies. I will start reading this and learning
MD.
I really want to say that this forum is an excellent source of help.
Thanks for all your help.
Another book you may want to read is "Understanding molecular
simulation", by Daan Frenkel and Berend Smit. It also covers issues
not related strictly to molecular dynamics, like MonteCarlo
techniques, but it is a very good resource.
m.
I second that. It's a very good book. Another one, the one that once
introduced me to MD, is 'Computational Chemistry' by Guy H. Grant and W.
Graham Richards (Oxford University Press). It's less than 100 pages and
gives a good introduction to both MD and QM.
Erik
Regards
--
Sonali Dhindwal
--- On Mon, 10/5/10, Justin A. Lemkul<jalem...@vt.edu> wrote:
From: Justin A. Lemkul<jalem...@vt.edu>
Subject: Re: [gmx-users] Learning MD
To: "Discussion list for GROMACS users"<gmx-users@gromacs.org>
Date: Monday, 10 May, 2010, 10:43 PM
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
========================================
-- gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before
posting!
Please don't post (un)subscribe requests to the list. Use the www
interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
er...@xray.bmc.uu.se http://folding.bmc.uu.se/
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
