User 2347372188
16-08-2013 17:48:00
Hello. I was wondering if it was possible to specify a "fixfile" for conformation generation? In other words, I was wondering if it was possible to fix a portion of the molecule while letting the rest of the molecule optimize. I'm basically looking for functionality that would be similar to the fixfile parameter in omega2:
http://www.eyesopen.com/docs/omega/current/html/usage.html#optional-parameters
Thanks.
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