/
QM/MM Theory and Practice QM/MM Theory and Practice

QM/MM Theory and Practice - PowerPoint Presentation

tatiana-dople
tatiana-dople . @tatiana-dople
Follow
477 views
Uploaded On 2016-09-22

QM/MM Theory and Practice - PPT Presentation

By Adrian Roitberg Ross Walker Classical Force Field Limitations 1 Need parameters for each atom type and with the types of its 12 13 and 14 interactions 2 We cannot break bonds during a simulation ID: 469790

link atom region amber atom link amber region embedding interaction force support atoms covalent include pm3 method bond bonds

Share:

Link:

Embed:

Download Presentation from below link

Download Presentation The PPT/PDF document "QM/MM Theory and Practice" is the property of its rightful owner. Permission is granted to download and print the materials on this web site for personal, non-commercial use only, and to display it on your personal computer provided you do not modify the materials and that you retain all copyright notices contained in the materials. By downloading content from our website, you accept the terms of this agreement.


Presentation Transcript