Dear Amber Users,
I was running long simulations on a complex with three components. Around 65 ns,
one of the subunit breaks off from the complex for a while and again reunites.
The rmsd profile is attached. I do not see any shoot ups in energy, temperature,
volume or pressure. Any suggestions as to what might have gone wrong is
appreciated.
Additional info: I am using Amber9, Zaff for Zn co-ordination (the Zn ions seems
to have displaced over the simulation after around 45ns).
Thanks a lot in advance.
Sincere Regards,
Moitrayee
--
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jan 07 2012 - 11:30:02 PST
