(unknown charset) [AMBER] Problems about invoking AMBER12 in calculating binding energy
We used the mm_pbsa.pl
in Amber12 to calculate the decomposing binding energy, however, we
have some puzzles as following:
That the Amber11 invoked was showed in the first line of sander_com.1.out.
[image: ÄÚÇ¶Í¼Æ¬ 1]
We wonder the reason of the problem is that the Amber 12 was not updated ?
There is just amber12/bin in our PATH variable.
Thank you very much and we are looking for your help.
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Received on Thu Dec 26 2013 - 18:30:03 PST