AMBER Archive (2009)

Subject: [AMBER] error message from iAPBS

From: Oliver Kuhn (oak.amber_at_web.de)
Date: Mon Oct 19 2009 - 06:47:32 CDT

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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