hello

What is definition of A&B coefficients in the bottom. and for methane and nitrogen A and B equal …? . Or how can I determine them

```
pair_style lj/cut 2.5
pair_coeff * * A B
```

```
thanks
```

hello

What is definition of A&B coefficients in the bottom. and for methane and nitrogen A and B equal …? . Or how can I determine them

```
pair_style lj/cut 2.5
pair_coeff * * A B
```

```
thanks
```

hello

What is definition of A&B coefficients in the bottom. and for methane and

nitrogen A and B equal ....?

how about reading the documentation?

http://lammps.sandia.gov/doc/pair_lj.html

. Or how can I determine them

please have a look into a textbook on MD where it explains how force

field parameters are determined.

please note that parameters are generally specific for a limited range

of thermodynamic states (temperature, pressure) and there is thus not

going to be *the* set of parameters.

axel.

I looked at the book

b= sigma

I know that how calculated for many atoms

but I do not understand that What’s scale

Nm or Å (Sigma)

K or J (epsilon)

<<>>

they are Absolute or relative؟

i read manual and md book but

I did not see the explanation About coeff and LAMMPS

$$$$$$$$$$$

If you can tell me a “”“book”""""

$$$$$$$$$$$

pls see: http://www2.chemistry.msu.edu/courses/cem888/cukier/Allen,Tildesley,_Computer_Simulation_of_Liquids,1991.pdf

page 21 table 1.1

What is the relationship between the data and the coefficients?

1: 1

1:m*1

or n.02>>>> m???

thank u very very very

I looked at the book

a: epsilon

b= sigma

I know that how calculated for many atomsbut I do not understand that What's scale

Nm or Å (Sigma)

K or J (epsilon)

<<<Exclusively for the coefficients used in LAMMPS>>>they are Absolute or relative؟

they can be either.

i read manual and md book but

I did not see the explanation About coeff and LAMMPS

there is:

http://lammps.sandia.gov/doc/units.html

you need to read more carefully.