[gmx-users] ambconv: Segmentation fault
Sichun Yang
syang at physics.ucsd.edu
Tue Jan 11 06:59:20 CET 2005
Hi-
I'm a new user of ambconv. I have the following the error message:
AMBCONV v1.0
AMBER .top : old.prmtop
GROMACS .top : new.top
AMBER .rst : nowater.rst
GROMACS .gro : new.gro
PDB .pdb : temp.pdb
Segmentation fault (core dumped)
The command I used was:
ambconv -v -at old.prmtop -gt new.top -rst nowater.rst -gro new.gro -pdb
temp.pdb
I've followed the email-list and patch the changes, such as
s_atop* atop = (s_atop*) xmalloc(sizeof(s_atop));
#anything#_filename = (char*) malloc(strlen(argv[i+1])*sizeof(char)+1);
fprintf(grotop, " %6d%6d%s%12.5f%12.0f%s", ++atom1, ++atom2, " 1",
bl, bfc,".");
Any suggestion is welcome.
Thanks,
-Sichun
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