AMBER Archive (2006)

Subject: AMBER: perturbed and unperturbed charges

From: Rachel (comeonsos_at_googlemail.com)
Date: Wed Dec 06 2006 - 11:24:24 CST


Dear AMBER users,

Hi! Can I ask should perturbed and unperturbed charges always be integers
and have the same value? What if they have different values, does it
indicate something goes wrong? how about the non-integer values?

Best regards,
Rachel

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