Hi Kenley,
I am also getting a segmentation fault while I try to load that prep file
you sent into xleap. I tried to convert it to a .mol2 fine using
# antechamber -i himethyl_jag.prep -fi prepi -o test.mol2 -fo mol
and then load it into xleap with the 'loadmol2' command. It worked this
way. But I dont know why it gave that segmentation fault.
Best,
On Fri, 20 May 2005, Kenley Barrett wrote:
> 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.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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>
--
Ilyas Yildirim
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Received on Mon May 23 2005 - 09:53:01 PDT
