Hi Urszula, I am guessing that the message means the input radius (*.siz) file to DelPhi has too many lines in it. Either you would need to make that file shorter or use a different one (try default.siz from the DelPhi people), or change the nrmax parameter in the DelPhi code and recompile DelPhi. This is more of a DelPhi question than a Chimera question. However, APBS may be the better way to go, since the last time I looked, the academic version of DelPhi was not really supported. I would be surprised if Amber can make a DelPhi-format phi file - maybe that is some different kind of file. Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On Sep 6, 2007, at 10:10 AM, Thomas Goddard wrote:
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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