Dear amber users,
In some example input files for the RESP fit in $AMBERHOME/examples/resp_charge_fit/ (for peptoid, adenine and bis-naphtyl) the ivary for some atomic numbers is set to -1. Is it the same as setting it to -99 or has it a different function ?
Thanks in advance.
Alex
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Received on Sat Nov 10 2001 - 03:47:39 PST
