You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
19 lines
313 B
19 lines
313 B
2 years ago
|
Remark line goes here
|
||
|
|
MASS
|
||
|
|
|
||
|
|
BOND
|
||
|
|
|
||
|
|
ANGLE
|
||
|
|
n -c2-o 75.099 117.460 Calculated with empirical approach for n-c2-o
|
||
|
|
|
||
|
|
DIHE
|
||
|
|
|
||
|
|
IMPROPER
|
||
|
|
n -n -c2-o 1.1 180.0 2.0 Using the default value
|
||
|
|
c2-hn-n -hn 1.1 180.0 2.0 Using the default value
|
||
|
|
|
||
|
|
NONBON
|
||
|
|
|
||
|
|
|
||
|
|
|