What am I doing wrong here?
With AmberTools 1.3 compiled with gcc/gfortran/g++ 4.4.2 .
$ cat water.pdb
ATOM 1 O WAT 1 8.447 18.490 21.686 1.00 0.00
ATOM 2 H1 WAT 1 8.923 18.731 20.892 1.00 0.00
ATOM 3 H2 WAT 1 9.105 18.526 22.380 1.00 0.00
$ sleap
[gtkleap]$ source leaprc.amoeba
[gtkleap]$ loadoff amoeba_wat.off
[gtkleap]$ z=loadpdb water.pdb
[gtkleap]$ saveamoebaparm z z.top z.xyz
Program received signal SIGSEGV, Segmentation fault.
0x0000000000510e9b in mort::energee_t::assignparm(mort::molecule_t const&,
int) ()
Traceback from gdb :
#0 0x0000000000510e9b in mort::energee_t::assignparm(mort::molecule_t const&,
int)
()
#1 0x000000000047da72 in mort::write_amoeba_prmtop(std::basic_ostream<char,
std::char_traits<char> >&, mort::molecule_t&, mort::molecule_t const&,
mort::molecule_t const&) ()
#2 0x000000000044bf12 in amber::saveprm_command::exec() ()
#3 0x00000000004bbc3b in mort::control_t::run(std::basic_string<char,
std::char_traits<char>, std::allocator<char> > const&) ()
#4 0x00000000004ba626 in mort::console_t::process(std::basic_string<char,
std::char_traits<char>, std::allocator<char> > const&) ()
#5 0x00000000004ba940 in mort::console_t::mainloop() ()
#6 0x0000000000407062 in main ()
--
Neil Henson Tel: 505-667-7795
Technical Staff Member Fax: 505-665-3909
Physics and Chemistry of Materials ---------------------
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Los Alamos, NM 87544 and much much more
http://www.t12.lanl.gov/home/njh ---------------------
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Received on Mon Feb 08 2010 - 06:30:02 PST
