[gmx-users] .mdp file

Mark Abraham Mark.Abraham at anu.edu.au
Tue Aug 9 10:41:14 CEST 2011

On 9/08/2011 5:26 PM, manoj damale wrote:
> Hey hi
> i want to do gromacs tutorial and for that i required the .mdp file 
> for where i can get that file

The tutorial will tell you how to get it or create it.

> and what type of modification should i do in that file

Whatever the tutorial suggests. What modifications are best suited for 
your own work later is something you will have to judge with the 
experience you have gained. Do all the tutorial material you can find, 
read textbooks and read current literature widely. Then think hard and 
test carefully.

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