Re: [AMBER] printing charges in pdb

From: Vaibhav Dixit <vaibhavadixit.gmail.com>
Date: Mon, 6 Jan 2020 22:34:05 +0530

got what I was looking for.
thanks

On Mon, Jan 6, 2020 at 8:34 PM David Case <david.case.rutgers.edu> wrote:

> On Mon, Jan 06, 2020, Vaibhav Dixit wrote:
>
> >I want to print charges in pdb files for selected frames of a MD
> trajectory.
> >Is it possible to do this using cpptraj or ambpdb?
>
> See the -pqr flag of ambpdb.
>
> ....dac
>
>
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-- 
Regards,
Dr. Vaibhav A. Dixit,
Visiting Scientist at the Manchester Institute of Biotechnology (MIB), The
University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
AND
Assistant Professor,
Department of Pharmacy,
▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
India.
Phone No. +91 1596 255652, Mob. No. +91-7709129400,
Email: vaibhav.dixit.pilani.bits-pilani.ac.in, vaibhavadixit.gmail.com
​http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
ORCID ID: https://orcid.org/0000-0003-4015-2941
http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
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Received on Mon Jan 06 2020 - 09:30:02 PST
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