[Chimera-users] problem while readin .phi file
Thomas Goddard
goddard at cgl.ucsf.edu
Thu Sep 6 10:10:05 PDT 2007
Hi Ula,
I do not use DelPhi so I don't know what the "maximum number of
radius records" means.
But I don't think Amber can produce a DelPhi format electrostatics
file, and your *.phi file probably does not open in Chimera because it
is not the expected DelPhi format.
An alternative to DelPhi for computing electrostatics is APBS. It is
free and not too hard to use and Chimera will display its output.
Tom
Urszula Uciechowska wrote:
> Hi Tom,
>
> I was trying to use DelPhi program but i am getting the error:
>
> maximum # of radius records exceeded
> increase nrmax
> FORTRAN STOP Do you know maybe how to get rid of it?
> so i used amber to get phi file.
>
> Ula
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