[gmx-users] problem of general velocities

mark.abraham at anu.edu.au mark.abraham at anu.edu.au
Wed Feb 27 08:19:27 CET 2008

----- Original Message -----
From: sudheer babu <sudheer.pbm07 at gmail.com>
Date: Wednesday, February 27, 2008 4:42 pm
Subject: [gmx-users] problem of general velocities
To: gmx-users at gromacs.org

> Hi gmx users, 
> I am doing membrane simulations , In *pr.mdp file kept gen_vel 
> =yes and in *md.mdp file kept " no " , can i use this 
> like or viceversa I tried in different ways. Which way is acceptable.

The choice that makes more sense depends on what you're trying to do. Look up in manual chapter 7 what this parameter does, and then see what choices other people make here. You could look at some tutorial material, read some descriptions of similar simulations in the literature, or check out http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation

I could just tell you the answer, but that won't help you learn how to help yourself :-) In this field, blindly following some advice you got online is behaviour that will likely lead to you wasting your time at some later stage.


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