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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Oct 14 2007 - 06:07:30 PDT
