prev
up
next
Dummy Atoms

If the QM program uses dummy atoms, they are specified 'Xx' or 'XX'. The program will automatically remove dummy atoms from the non-bonded pair list. Please note that if the user specifics bonds to the dummy atom in the connection table, the program will look for the appropriate parameters in the force field file. The program does not filter out this possibility because sometimes it is useful to specify MM bonds to dummy atoms).

SCM Home Page
Quality Software. Quantum Science
*
*
Copyright Terms of UsePrivacy Policy
Home Products Try & Buy Downloads Documentation Support News About SCM Contact
Home     Products     Try & Buy     Downloads     Documentation     Support     News     About SCM     Contact