Hello all,
I want to generate the electrostatic potential map using Chimera. I tried through Delphi controler, however i am repeatedly getting an error as follows. I have successfully installed Delphi. Can someone suggest me what is wrong.
__________DelPhi V. 4 Release 1.1 ______________
| |
| A program to solve the PB equation |
| in 3D, using non-linear form, incorporating |
| many dielectric regions, multisalt ionic |
| strength, different probe radii, periodic |
| and focussing boundary conditions, utilizing |
| stripped optimum successive over-relaxation |
| and an improved algorithm for mapping the |
| Mol. Surface to the finite-Difference grid |
| Recompiled on Linux and PC |
| January 2002 -------- Walter Rocchia |
|__________________ ___________________|
DelPhi V. 4
program started on Fri Oct 27 2006
at 14:55:00
opening parameter file /tmp/tmpvpgS8V
At least 30 nonlinear iterations
atom radii read from file
/usr/people/ojha/BALA/chim_amber.siz
unknown header format in radius file:
O5' A 1 1.7210
First it showed the same for H5 atom [which was the first atom in the siz/charge file], then i just tried by deleting the first line in the radius and charge file. Then the same error is coming for the second atom O5' in the file.
Thanks in advance,
Bala
_______________________________________________Chimera-users mailing list