Hi Amber and iAPBS users,
I have the following problem. I can run iAPBS with a protein-drug complex - runs fine.
When I run it on a protein-substrate complex (where the substrate is a peptide), I get an error message.
The error message is:
Vio_ctor2: some error occurred.
Vio_ctor: Vio_ctor2() failed.
Vgrid_readDX: Problem opening virtual socket iapbs-dielx.dx
Fatal error while reading from iapbs-dielx.dx
Error reading dielectric maps!
Vio_ctor2: some error occurred.
Vio_ctor: Vio_ctor2() failed.
Vgrid_readDX: Problem opening virtual socket iapbs-dielx.dx
Fatal error while reading from iapbs-dielx.dx
Error reading dielectric maps!
Vio_ctor2: some error occurred.
Vio_ctor: Vio_ctor2() failed.
Vgrid_readDX: Problem opening virtual socket iapbs-dielx.dx
Fatal error while reading from iapbs-dielx.dx
Error reading dielectric maps!
I think, this file should be written and store a 3D grid with dielectric values, 1 where is solute and 80 otherwise.
I don't know in which folder iapbs-dielx.dx should be written and why that does not happen.
Has anyone an idea what can be the cause of this problem.
regards,
Oliver
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Received on Mon Oct 19 2009 - 05:00:02 PDT
