Re: [AMBER] How to assign frame range for cpptraj analysis?

From: sunyeping <sunyeping.aliyun.com>
Date: Wed, 07 Sep 2016 17:44:36 +0800

Dear Anna,
Thank you for the prompt and helpfule reply.
All the best!
Yeping------------------------------------------------------------------From:Anna Cebrian Prats <Anna.Cebrian.uab.cat>Time:2016 Sep 7 (Wed) 17:21To:AMBER Mailing List <amber.ambermd.org>; 孙业平 <sunyeping.aliyun.com>Subject:Re: [AMBER] How to assign frame range for cpptraj analysis?
Hi Yeping
Yes you can do it like this;
Cpptraj *.prmtop !open the topology
  > trajin *.mdcrd 250 to 500 !Select the frames that you want from your trajectory  > Continuous with the rest keyword for the analysis  .....  > Go  > exit
Hope this help you
Anna
De: sunyeping <sunyeping.aliyun.com>
Enviat el: dimecres, 7 de setembre de 2016 11:04:30
Per a: AMBER Mailing List
Tema: [AMBER] How to assign frame range for cpptraj analysis? Dear all, 

I want to analyze a trajectory using cpptraj, but I don't want to use all the frames of the trajectory for analysis. Then how should I tell cpptraj the range of the frames I need to use?

Best regards,

Yeping Sun 

_______________________________________________

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 Wed Sep 07 2016 - 03:00:02 PDT
Custom Search