RE: Restarting NAMD simulation

From: Norman Geist (
Date: Thu Mar 12 2015 - 09:13:14 CDT

This "firsttimestep" parameter just controls the numbering of the timesteps,
nothing more. It will not affect the simulation in any way. So it's just to
have a continuing numbering across simulation stages.


As you will restart from the latest written restart at 20000000 you can of
course set "firsttimestep" to this value.


Norman Geist.


From: Sourav Ray []
Sent: Thursday, March 12, 2015 3:09 PM
To: Norman Geist
Subject: Re: namd-l: Restarting NAMD simulation


I ran a 20ns simulation with a time-step of 1fs and minimization for first
1000 steps.

timestep 1.0 ;# 1fs/step

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