Thank you
On Thu, May 25, 2017 at 12:04 AM, Irfan Alibay <
irfan.alibay.manchester.ac.uk> wrote:
> 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 - 12:30:02 PDT
