Hi,
In this case you could use the unary logical negation operator "!" to strip everything but a specific residue.
For example if you were interested in only keeping residue number 4 in your system, in cpptraj you could do:
> strip !:4
A list of the different amber mask operators can be found under the ambmask section of the amber manual (p380 in the v17 manual).
Best regards,
Irfan Alibay
PhD Student
The University of Manchester, UK
________________________________________
From: Vidhya Srivatsan [vidhyasri1609.gmail.com]
Sent: Wednesday, May 24, 2017 7:07 PM
To: amber.ambermd.org
Subject: [AMBER] Reg residue selection in trajectory
Hello
I have a trajectory dataset from AMBER and am interested in only 1 specific
residue in the entire set. Since there are lot of residues, I need to
strip at least 400-500 residues to get only the desired residue through
strip command. Is there a way out for selecting specific residue type in
amber?
Regards
V S
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Received on Wed May 24 2017 - 12:00:03 PDT
