[AMBER] Print Hessian matrix in (3,3) dimension

From: Bouibes Amine <bouibes.ncube.human.nagoya-u.ac.jp>
Date: Sun, 26 May 2019 17:03:55 +0900

Dear Amber developers,

I would like to calculate Hessian matrix in (3,3) dimension. However, in
mme2() it is calculated in (3*N,3*N) dimension.

Could you please help me to calculate and print it in (3,3) dimension.

Thank you very much in advance,


Best regards,



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Received on Sun May 26 2019 - 01:30:02 PDT
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