AMBER Archive (2006)

Subject: AMBER: what is the RMS value in resp charge fitting ?

From: jitrayut jitonnom (jitrayut.018_at_gmail.com)
Date: Tue Oct 31 2006 - 02:46:31 CST

Dear amber users,

I have a question on resp charge fitting. I found the RMS value which
indicate how good or bad of charge fitting. So I want to ask you that what
is the RMS means ? and how can i calculate this value ?
Actually, i do resp fitting from many conformation but i don't know what is
the suitable value to indicate my fitting, except this value. Also,i think
that it would be the other values that can better explain the charge fitting
procedure.

Any suggestions will be very appreciated,

Thanks in advance,

Jitrayut

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