Dear Scott,
> Thanks, what about the os, compiler, etc:
> uname -a
> cd amber10/src; ./configure -options compiler ?
> compiler -version ?
xleap
SUS = loadmol2 sustiva.mol2
=>
[fyd.master0 ~]$ xleap
-I: Adding /usr/local/amber10/dat/leap/prep to search path.
-I: Adding /usr/local/amber10/dat/leap/lib to search path.
-I: Adding /usr/local/amber10/dat/leap/parm to search path.
-I: Adding /usr/local/amber10/dat/leap/cmd to search path.
/usr/local/amber10/exe/xleap: line 9: 2623 Erreur de segmentation
/usr/local/amber10/bin/xaLeap -I/usr/local/amber10/dat/leap/prep
-I/usr/local/amber10/dat/leap/lib -I/usr/local/amber10/dat/leap/parm
-I/usr/local/amber10/dat/leap/cmd $*
[fyd.master0 ~]$ uname -a
Linux master0.q4md-forcefieldtools.org 2.6.18-164.6.1.el5 #1 SMP Tue
Nov 3 16:12:36 EST 2009 x86_64 x86_64 x86_64 GNU/Linux
Compiled using Intel compiler 10.1.018 // regular options
mkl 10.0.4.023
regards, Francois
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 15 2010 - 01:00:02 PDT
