Dear GMX users...
i have a protein-peptide complex wherein peptide does not have one of the
terminal carboxy oxygen atoms (i.e., it has -CO only). I designate A to
peptide and B to protein chain. when i do pdb2gmx, it adds the missing O,
so now the group is -COO. Now with this gro file, i tried to make some
groups with make_ndx.
when i select group 0 (system) or 1 (protein), and try to generate index
file, i get the following error...
*** glibc detected *** double free or corruption: 0x081b5bc0 ***
Aborted
but when i use any other groups to make some index file, i do not get any
error....
Moreover, when i solvate the system, and use the resultant gro in
make_ndx, i get no errors with any combination of groups!!!
i am really confused.... please help...
bharat
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