Hi,
I have some problems to reimage my trajectory using reimage command from
Amber12 cpptraj. My system contains 2 proteins and one Zn+ ion. I
managed to center the two proteins but not the Zn+ ion.
I run this command:
$AMBERHOME/bin/cpptraj start.pdb < reimage.in
My "reimage.in" file is:
------------------------------------
trajin din1.mdcrd.gz
trajin din2.mdcrd.gz
trajout din10ns.mdcrd.gz
center :173-208
image familiar
center :173-209
image familiar
center :1-209
image familiar
go
-----------------------------------
Where:
209 is Zn+ ion
1-172 is the first protein
173-208 is the second protein (containing Zn+)
Do you know where is the error?
Do you know how I can solve this problem.
Thanks in advance
Chiara
WARNING / LEGAL TEXT: This message is intended only for the use of the
individual or entity to which it is addressed and may contain
information which is privileged, confidential, proprietary, or exempt
from disclosure under applicable law. If you are not the intended
recipient or the person responsible for delivering the message to the
intended recipient, you are strictly prohibited from disclosing,
distributing, copying, or in any way using this message. If you have
received this communication in error, please notify the sender and
destroy and delete any copies you may have received.
http://www.bsc.es/disclaimer
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 18 2013 - 01:30:02 PDT
