[Dock-fans] Issues with electrostatic potential scoring grid
Francesco Pietra
chiendarret at gmail.com
Wed May 6 15:03:36 PDT 2009
Hi:
On trying to generate the electrostatic grid from the examples in
DOCK6.2, according to:
http://wiki.compbio.ucsf.edu/wiki/index.php/Delphi_electrostatics
I met problems that I don't know how to fix. Below the full output of
the command
francesco at tya64:/usr/local/dock6/install/test/chemgrid_generation$
make_phimap $DELPHI_PATH/delphi
__________DelPhi V. 4 Release 1.1 ______________
| |
| A program to solve the PB equation |
| in 3D, using non-linear form, incorporating |
| many dielectric regions, multisalt ionic |
| strength, different probe radii, periodic |
| and focussing boundary conditions, utilizing |
| stripped optimum successive over-relaxation |
| and an improved algorithm for mapping the |
| Mol. Surface to the finite-Difference grid |
| Recompiled on Linux and PC |
| January 2002 -------- Walter Rocchia |
|__________________ ___________________|
DelPhi V. 4
program started on Wed May 6 2009
at 23:49:55
opening parameter file fort.10
PGFIO-F-231/list-directed read/internal file/error on data conversion.
In source file src/qinttot.f, at line number 1687
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
francesco at tya64:/usr/local/dock6/install/test/chemgrid_generation$
thanks for help
francesco pietra
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