AMBER Archive (2002)

Subject: restarting simulation

From: Marcela Madrid (mmadrid_at_psc.edu)
Date: Fri Nov 22 2002 - 14:06:42 CST

Hi

I am sorry I have another question today...
But I have a restart file. I want to use this
file to start a new simulation with a different
random number. I used ptraj to read the restart file
and write an inpcrd file that has the box information
at the end. However when I try to use this file
for MD with ntx=1, irest=0
I get a format error.

I get the same error message if I try using carnal
and adding the box parameters after
&ewald.

I would like to learn how to do this, sorry for the questions.
thanks, Marcela