[AMBER] How do I perform LIE analysis for a metalloprotein containing Cd using Amber ?

From: Garima Singh <garimabioinfo.gmail.com>
Date: Wed, 19 Jul 2017 15:20:39 +0530

 Dear Amber user,

                             I have 50 ns of MD simulation of
metalloprotein interaction with Cd2+ using Amber 14. I wish to perform LIE
analysis for electrostatic and van der Waals interaction energy .Is it
possible for metalloprotein . I go through the manual but could't
understand how to calculate LIE using CPPTRAJ.


*Thank You and Best Wishes*

-- 
*Regards*
Garima Singh
AcSIR-PhD Fellow
Biotechnology Division
C/o Dr. Ashok Sharma (Chief Scientist and Head Biotechnology Division)
Central Institute Of Medicinal And Aromatic Plant
CSIR-CIMAP
Lucknow
garimabioinfo.gmail.com
*INDIA* Please don't print this e-mail unless you really need to. Be Green !
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Received on Wed Jul 19 2017 - 03:00:03 PDT