Dear Amber User
I want to simulate the system that contain EAN (ethyl ammmonium nitrate). I
found the force field parameter for EAN, but in that paper they are using
DLPOLY software with OPLS parameter
1) Inversions (DLPOLY type harmonic)
Atom1 Atom2 Atom3 Atom3 Force angle
NN OO OO OO 794.3
0.0
2) Three body potentials (DLPOLY type hbond)
Atom1 Atom2 Atom3 Force distance cutoff
ON H3 N3 15.0 2.8
5.0
The problem is that both the force field potential is not define in amber
force field.
So please guide me how to add this potential in amber, I am using Amber 12
Thank you in advance
Regard
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*Md Homaidur Rahman*
PhD Research Scholar
Computational Biophysics Lab.
Department of Biotechnology
Indian Institute of Technology-Madras
Chennai-600 036
*Mobile No = +91- 7845991785*
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Received on Fri Oct 04 2013 - 10:30:03 PDT
