Does it improve if you leave out the --log and if you use -O myfile.cml instead?
- Noel
On 8 April 2013 20:28, Marcus D. Hanwell marcus.hanw...@kitware.com wrote:
Hi,
We are using obabel to perform geometry optimizations etc on the
command line, and we are hitting a bug that seems to only
-O ethanol.cml
On 9 April 2013 00:20, David van der Spoel sp...@xray.bmc.uu.se wrote:
On 2013-04-09 03:28, Marcus D. Hanwell wrote:
Hi,
We are using obabel to perform geometry optimizations etc on the
command line, and we are hitting a bug that seems to only present
itself on the Mac. If
