AMBER Archive (2004)

Subject: Re: AMBER: segmentation fault when running parmchk

From: Chutintorn Punwong (punwong_at_uiuc.edu)
Date: Mon May 24 2004 - 17:34:11 CDT

Yes, I have this kind of problem too. I've run the antechamber test case
(tp.pdb) it worked fine.
My molecule is retinal analogue composed of 5 double bonds. Total number
of atoms is 31.
Chutintorn

> When I run parmchk command to build frcmod file, it always give
segmentation
> fault. I have tried gcc and pgcc to build parmchk program, but the
results
> are the same. The machine is P4 2.8GHz with SuSE8.2. I also built a copy
> with gcc on Athlon XP 1800+ with SuSE8.2. It works fine. Then I
copied it to
> P4 machine, it also failed. Has anyone ever meet this problem?
>

Does it also fail when running the antechamber test cases? (These test
cases invoke the parmchk program). Knowing that would help rule out any
problems with your input files.

...regards...dac

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