[AMBER] Error during the MMPBSA calculation -reg.

From: Jeyaram R A <ra.jeyaram.vit.ac.in>
Date: Tue, 9 Jan 2018 04:34:04 +0000

                I follow the AMBER ADVANCED TUTORIAL - 3, SECTION 3.2 for the binding free energy calculation of the protein - ligand complex by MMPBSA method. During the calculation, it shows the error due to the topology of the receptor protein. Here i attach the error image and also the topology of the receptor protein file.


                                                                                            Thank you

with regards,

R. A. Jeyaram

Research scholar in Bio-physics

School of Advanced Sciences

Vellore Institute of Technology

India - 632014



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Received on Mon Jan 08 2018 - 21:00:02 PST