Just below that the manual shows [ nonbond_params ] where I think I can change the function type from 1 to 2 to use Buckingham potential. However that does not seem to work as the software takes LJ interaction parameters from the [ atomtypes ] section itself. I got no change in my results when I did that.
Any idea as to what can be wrong?
-
Karamyog.
On 6/1/06, Mark Abraham <[EMAIL PROTECTED]> wrote:
karamyog singh wrote:
> Is it not possible to use Buckingham potential instead of default LJ
> potential for interaction between same atoms?
Read the manual. Section 4.1 would be a good start.
Mark
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