AMBER Archive (2009)

Subject: Re: [AMBER] error in xleap: ligand binding using MMand QMMM tech

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Thu Feb 12 2009 - 08:32:17 CST

Hi Ramesh,

> ../xleap: line 11: 4470 Segmentation fault /usr/local/amber10/amber10/exe/xaLeap -I/usr/local
> /amber10/amber10/dat/leap/prep -I/usr/local/amber10/amber10/dat/leap/lib -I/usr/local/amber10
> /amber10/dat/leap/parm -I/usr/local/amber10/amber10/dat/leap/cmd $*

This has nothing to do with QM/MM by itself, and should work on
Amber10 as well as Amber9. What version of AmberTools do you have? I'd
recommend that you try downloading the most recent version of
AmberTools (http://ambermd.org/#AmberTools), then apply all the
bugfixes (http://ambermd.org/bugfixesat.html), then recompile / test /
try again.

Also, unless there's a special reason for you to be doing this
tutorial, I'd recommend that you look at the Amber10 tutorials, in
http://ambermd.org/tutorials/.

Gustavo.

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