Re: [AMBER] How to perform analysis using ptraj

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Wed, 12 Jul 2017 02:07:30 -0400

For data analysis, you should upgrade to AmberTools 17 (free) and
should use cpptraj:
http://ambermd.org/tutorials/#analysis

Check manual (cpptraj section) for its richful command:
http://ambermd.org/doc12/Amber17.pdf

Hai

On Wed, Jul 12, 2017 at 2:01 AM, Mustafa Alhaji Isa
<mustafaisa.unimaid.edu.ng> wrote:
> Dear all,
>
> I am using amber 10, I want to perform analysis of RMSD, RMSF, Energy
> and other parameter using ptraj. Can someone help me with the script
> for performing the calculation
>
> --
> Warm regards
>
>
> Mustafa Alhaji Isa
> Bioinformatics and Computational BIology Lab,
> Department of Biotechnology,
> School of Engineering and Technology
> Sharda University
> Greater Noida, Delhi, India
> Mob No.: +918800621829
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 11 2017 - 23:30:03 PDT
Custom Search