Dear AMBER
I am trying to use a trick in which an atom is bound to 5 extra-points. But during minimisation, I got the following error:
Number of atoms in this group = 5
----- END OF GROUP READ -----
EXTRA_PTS: unexpected numnghbr array:
define: 1 0 0 4
This is related to extra-pionts (more than the default number 2).
How can I overcome this error?
Any hints would be appreciated
Thanks in advance
W. Flak
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Received on Tue Oct 05 2010 - 07:30:04 PDT
