AMBER Archive (2005)

Subject: Re: AMBER: crashing xleap

From: Kenley Barrett (kenley.barrett_at_gmail.com)
Date: Fri May 20 2005 - 15:57:00 CDT

Scott,

Thanks for your help. I have attached the prep file. I am using Amber
8, and I open XLeap using the command:

/opt/local/amber8/exe/xleap -s -f /opt/local/amber8/dat/leap/cmd/leaprc.ff99

The first command that I then enter into XLeap is:

loadamberprep himethyl_jag.prep

The program immediately crashes.

Please let me know if I can give you any further information.

Thanks,
Kenley

On 5/20/05, Scott Brozell <sbrozell_at_scripps.edu> wrote:
> Hi Kenley,
>
> I am not aware of this bug. If you send me your input files, your
> leap.log for the commands you attempted, and some details like which
> amber version, what computing platform, etc then I'll try to
> reproduce your bug.
>
> Scott Brozell
>
> On Fri, 20 May 2005, Kenley Barrett wrote:
>
> > Amber users,
> >
> > I am trying to create a library file for an unusual residue. I have
> > created a prep file, but whenever I try the XLeap command
> > "loadamberprep [jobname].prep", XLeap immediately crashes due to a
> > "segmentation fault". Has anyone else had this problem, and does
> > anyone know how to fix it?
> >
> > Please let me know any suggestions that you have. Thank you in advance
> > for your help.
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