Hi Bing Huang,
Please read the help carefully and try a couple of examples to
convince yourself.
The idea is pretty simple: mprop will search the 2nd atom only
within the range of distances [d1,d2] from the 1st one. If it is
not found there no curve will be produced.
There's no more no less.
Regards,
Roberto
On Fri, 14 Sep 2012, Huang Bing wrote:
Hi, Roberto
? No, COOP/COHP do not depend on d1, d2. Those numbers just specify
search radii for your target atoms.?
what's search radii here? Only if it's properly chosen then the program
will work. What if it's not properly chosen, will the generated COOP
curve be incorrect?
Best Regards,.
Bing
