AMBER Archive (2001)

Subject: error msg in leap

From: Eoin Galligan (paxeg_at_nottingham.ac.uk)
Date: Wed Jun 06 2001 - 12:30:43 CDT

Dear all,
I've hit the following error message in leap after filling in the charges and types for a ligand:
"The unperturbed charge is not integral"
I've checked the charges - Any ideas? Thanks in advance.
Regards, E Galligan