| AUTOLIMIT | ||
|---|---|---|
|
Appendix A. Keyword Reference |  |
| AUTOLIMIT | ||
|---|---|---|
|
|
Appendix A. Keyword Reference | |
AUTOLIMIT — Define default preliminary periodic boundaries.
AUTOLIMIT
Augments the capability of the LIMIT keyword by defining some chemically sensible boundaries for trial geometries on annealing searches. This precludes the user from having to define these boundaries and while still allowing meaningful searches. The specific boundaries are ±0.1 Å on bond lengths and ±20° on bond angles. No limit is placed on dihedral angles.
 |
Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
|
|
 |
|
| APOLAR |  |
AVEPMO |