Hi,
If it's minimization, you may have to do it from the beginning. If it's
dynamics using the restrt file (specified with -r), you can restart it
by using ntx and irest to their appropriate values (see manual).
Guanglei
pkb bioinfo wrote:
> Dear AMBER users,
>
> I was simulating my protein with NSTEP 50000.Due to power failure it
> stopped
> at NSTEP 36500.I want to continue the remaining simulation.So is there
> any way to
> resume the broken simulation? I will be really greatful for your help.
>
> Best Regards
> Pravas
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jul 26 2006 - 06:07:07 PDT
