VMD-L Mailing List

From: Naeem Mahmood Ashraf (naeem.mahmood_at_uog.edu.pk)
Date: Fri Dec 09 2016 - 08:25:29 CST

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 <naeem.mahmood_at_uog.edu.pk> *