Re: [Apbs-users] APBS NAMD build Ubuntu

[Robert K. <ro...@uc...>]

Hi Andrew,

I'm assuming you are using APBS NAMD with the iAPBS interface, right?

What version of iAPBS and APBS did you use for compilation? Can you please 
bump up both the verbose flag (to 5) and the debug flag (to 2) so we get 
more useful info?

Thanks,

Robert

On Fri, Mar 11, 2011 at 11:01:28AM -0500, Andrew Stelzer wrote:
>    Hi APBS users,
> 
>    I have been trying to compile APBS with NAMD in order to run implicit
>    solvent MD simulations.  I was able to get the program to successfully
>    compile but keep getting "Segmentation fault" when I run any of the
>    dipeptide examples and errors complaining about ionic strength when I
>    run the ubiquitin example (Vpmg_ibForce:  No force for zero ionic
>    strength!).  I tried adjusting the ion charge and concentration but to
>    no avail.  Attached is a zipped file of the input and outputs from each
>    run.
> 
>    Has anyone successfully implemented apbs with NAMD on Ubuntu?
> 
>    Andrew
> 
>    --
>    Andrew Stelzer PhD
>    Scientist
>    Nymirum


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