[gmx-users] Water tutorial

[Justin Lemkul]

On 1/28/16 9:57 AM, Arpita Srivastava wrote:
> Dear Sir,
>
> I am a new user of GROMACS software.I need a tutorial to understand the
> working of software. Please send me a tutorial of putting water molecules
> in a box and simulating the system.
>

Start with the existing tutorials.

http://www.gromacs.org/Documentation/Tutorials#General_GROMACS_Use

Building a water box becomes trivial once you understand the general commands 
and topology organization.  In fact, a topology for water can be written by hand 
in a text editor in probably 10 lines (see Chapter 5 of the manual).

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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