Dear all,
I'm trying to set up a small molecule in antechamber. I begin with a
mdl mol file and run it through antechamber to generate bcc charges
and turn it into a mol2 file, then run parmchk on it. I get a
segmentation fault when I run parmchk. I'm attaching the mol2 file;
can anyone help me out? There's no error/warning message at any point,
so it's (obviously) rather hard to troubleshoot.
Thanks,
David
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- application/octet-stream attachment: FRH.mol2
Received on Tue Nov 29 2005 - 16:53:01 PST
