AMBER Archive (2009)

Subject: Re: [AMBER] Max filename length in Sander?

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Mon Jun 08 2009 - 07:36:32 CDT

On Mon, Jun 08, 2009, Paul Mortenson wrote:
>
> I think I may have found a small bug / feature in AMBER9. Specifically,
> it seems that when periodic boundary conditions are turned on, the
> maximum filename length for the inpcrd file is 80 characters. From
> looking at the code, it would seem that the limit for this value should
> be a much more reasonable 256 characters. Interestingly, with PBCs
> turned off, this limit doesn't seem to apply. I have attached a
> small(ish) test job that hopefully will allow this to be reproduced,
> along with the output that I see.
>
> I am not sure whether the same is true for other input filenames. I have
> seen the same problem with PMEMD9. I have a fully patched (as of this
> morning) version of AMBER9, running on CentOS 4.6.
>
> Thanks in advance for your help,
>
> Paul Mortenson

Resending this for Bob's benefit, but also to indicate that my response was
probably too hasty, and didn't correctly address the question. It *is* too
early in the morning...

...dac



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