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Re: [lammps-users] read data file(production) with velocity information
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Re: [lammps-users] read data file(production) with velocity information


From: Steve Plimpton <sjplimp@...24...>
Date: Wed, 15 Nov 2017 16:47:58 -0700

Also, if you read the data file with velocity info in it,
you don't have to keep it.  If you use the velocity
command after reading the data file you
can overwrite the read-in velocity with whatever
values you like.

Steve

On Fri, Nov 10, 2017 at 12:11 PM, Wes Barnett <w.barnett@...668...> wrote:


On Fri, Nov 10, 2017 at 7:35 AM, liyi bai <liyibai2011@...24...> wrote:
Hello,Users

If I read data file with velocity information,do I need assign velocity by velocity again?

Initially, I assign velocity to run for equilibrium and got data file.After that ,I wanna use this data file to run another input script file.Here the data file include velocity information.
I am thinking two ways to deal with it.One is delete the velocity information in the product data and assign velocity again,another is not delete velocity information and NOT assign velocity again.

Could you give me some suggestions which is better?

Depends on what you mean by "better". If you have just equilibrated your system, regenerating the velocities would generally not be a good idea. If you are just wanting to continue the simulation from the same state, just use the data file (or even better, a restart file).
 


Thank you in advance~

Best Regards

Liyi

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--
James "Wes" Barnett
Postdoctoral Research Scientist
Department of Chemical Engineering

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