AMBER Archive (2007)

Subject: Re: AMBER: BOMB!

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Thu Oct 11 2007 - 18:59:50 CDT

Hi,

On Thu, 11 Oct 2007, Eddie Men wrote:

> SA Bomb in phi_aaradi(): No radius assigned for atom 7 MG
>
> I produced initial prmtop and prmcrd files with the ff03 force field,
> isn't this data supposed to be in the library?.
> How can I assign raddius?. Does that have to be made on sander or on tleap?

There are options for setting the radii; see input parameter radiopt:
http://amber.ch.ic.ac.uk/archive/200701/0224.html

Alternatively, try Mg instead of MG.

Scott

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