AMBER Archive (2003)

Subject: Re: AMBER: problem in tleap

From: David A. Case (case_at_scripps.edu)
Date: Sat Oct 25 2003 - 22:56:29 CDT

On Fri, Oct 24, 2003, aini_at_UMDNJ.EDU wrote:

> I deleted the three atoms and then tleap stopped complaining about the end
> phosphate group. However the fatal error is still there. And I checked my pdb
> file and believe there is not extra atom. What else may give this fatal message?

We're probably going to need to see your pdb file, but first be sure that
every atom within a given residue has a unique atom name. You could certainly
get this error if there are two or more atoms with the same name. Otherwise
you will probably have to post the pdb file you are loading.

..dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu