AMBER Archive (2009)

Subject: [AMBER] Max filename length in Sander?

From: Paul Mortenson (P.Mortenson_at_astex-therapeutics.com)
Date: Mon Jun 08 2009 - 05:59:52 CDT

Dear AMBER users,

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

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