AMBER Archive (2001)

Subject: RESP fit: ivary -1 ?

From: nanook1000_at_web.de
Date: Sat Nov 10 2001 - 05:47:39 CST


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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