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AMBER Archive (2001)Subject: LEAP
From: kiyean.nam_at_pharma.Novartis.com
Dear All,
I am trying to set up a FEP calculation of F -> L.
While making pert.intop file using xleap, I got a lot of error messages
*** Proper torsion parameters missing ***
I don't understand what leap is complaining about because there is a
I tried to add dummy parameters as instructed in the message, it did not
Is there anyone knows what is going on?
Thank you.
Kiyean Nam
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