On Thu, Aug 05, 2010, Guoxiong Su wrote:
>
> I am trying to use antechamber to create parameter and coordinate files for
> my molecule. Then I run "antechamber -i input.pdb -fi pdb -o output.mol2 -fo
> mol2 -c bcc -s 2". The job was aborted after running 130 hours and I got the
> error message as follow:
>
> Total number of electrons: 910; net charge: 0
>
> Running: /share/apps/amber11/bin/sqm -O -i sqm.in -o sqm.out
> *** glibc detected *** antechamber: free(): invalid next size (normal):
> 0x000000000da83060 ***
> ======= Backtrace: =========
> /lib64/libc.so.6[0x3e89a722ef]
We will need to see your "input.pdb" file, plus learn the following info:
Which version of AmberTools?
What OS, compiler version (type "uname -a" and "gcc --version" or equivalent)
All we can do is try to reproduce it. I am assuming that all the antechamber
test cases passed -- if not, let us know!
....dac
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Received on Thu Aug 05 2010 - 13:00:04 PDT
