AMBER Archive (2008)

Subject: Re: AMBER: Error: Bond: Maximum coordination exceeded -- setting atoms pert=true overrides default limits

From: David A. Case (case_at_scripps.edu)
Date: Tue Apr 15 2008 - 00:26:45 CDT

On Mon, Apr 14, 2008, Ted Fischer wrote:
>
> I am experiencing a problem with tleap setting up a system of multiple
> solutes not connected to another. I am using a pdb file that I manually
> edited in accordance to the syntax that was previously successful.

Does the pdb file have a TER card in between each molecule? Other than that,
we would need to have more information to be of much help. (e.g. what does
the pdb contain? what LEaP commands did you use?)

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu