VMD-L Mailing List

From: Peter Freddolino (petefred_at_umich.edu)
Date: Fri Dec 09 2016 - 10:12:25 CST

You might start by asking on the mailing list dedicated to namd issues, or asking google, which has helpful answers.

> On Dec 9, 2016, at 9:25 AM, Naeem Mahmood Ashraf <naeem.mahmood_at_uog.edu.pk> wrote:
>
> Hi Everyone,
>
> We are using command line interface for NAMD and there are some issues that we are facing regarding the software.
> How can be checkpoints produced in NAMD for restoring simulation if the system restores/restarts or crashes from any reason?
> Is there a specified command for the creation of random checkpoints that are to be added in the configuration file?
> Can we add directed checkpoints in the scripted configuration file and if yes then what could be the possible command for that?
>
> --
> Naeem Mahmood Ashraf
> Lecturer Biochemistry & Molecular Biology
> University of Gujrat, Punjab
> Cell Number: +923355064805
> E-mail: naeem.mahmood_at_uog.edu.pk