dear users,
does any of you can explain to me the rule to calculate the index ICO in the
topology file?
In Amber8' Manual I found:
' FORMAT(12I6) (ICO(i), i=1,NTYPES*NTYPES)
ICO : provides the index to the nonbon parameter
arrays CN1, CN2 and ASOL, BSOL. All possible 6-12
or 10-12 atoms type interactions are represented.
NOTE: A particular atom type can have either a 10-12
or a 6-12 interaction, but not both. The index is
calculated as follows:
index = ICO(NTYPES*(IAC(i)-1)+IAC(j))
If index is positive, this is an index into the
6-12 parameter arrays (CN1 and CN2) otherwise it
is an index into the 10-12 parameter arrays (ASOL
and BSOL).'
What is the value of th J index?
thanks in advance
monica
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Received on Wed Jan 12 2005 - 11:53:01 PST
