AMBER Archive (2004)

Subject: AMBER: Errors when running tleap

From: Ann P (anita_pachai_at_rediffmail.com)
Date: Wed Feb 25 2004 - 15:13:53 CST

Hi I ran tleap and i got the following errors and warnings can somebody help me in getting rid of them I had 3 bond statements in my leap.in file.Are the following errors bond: Argument #1 is type String must be of type: [atom] usage: bond <atom1> <atom2> [order] bond: Argument #1 is type String must be of type: [atom] usage: bond <atom1> <atom2> [order] bond: Argument #1 is type String must be of type: [atom] usage: bond <atom1> <atom2> [order] Checking Unit. What are the numbers in the following warnings... R<ASP 10185>.A<C 11> and .R<ASN 10186>.A<N 1> WARNING: There is a bond of 9.712116 angstroms between: ------- .R<ASP 10185>.A<C 11> and .R<ASN 10186>.A<N 1> WARNING: There is a bond of 11.046611 angstroms between: ------- .R<TYR 20383>.A<C 20> and .R<ILE 20384>.A<N 1> WARNING: The unperturbed charge of the unit: -10.000000 is not zero Thanx in advance Ann

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