Dear Amber users:
I did a 500,000 steps MD simulation and I saved snapshots every 1000
steps. My question is whether the restart file and the last snapshot in
crd (trajectory) file has the same structure? The reason I ask this
question is that I found out water molecules in active site have
different positions in the two structures.
Thank you in advance.
Best,
Lishan
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Oct 27 2005 - 16:53:01 PDT
