[AMBER] iat >= 3 in PMEMD and PMEMD.cuda

From: kurisaki <kurisaki.ncube.human.nagoya-u.ac.jp>
Date: Wed, 9 Aug 2017 10:09:51 +0900

Dear ambers,

Thank you for kind support everytime.

I'd try iat >= 3 with PMEMD and PMEMD.cuda,
Although I found it is still not impremented in the current version.

The purpose is to apply restraint on a DHA
Defined with center-of-mass coordinates.

If you could know any alterantive I can try now,
I'm most grateful if you let me know it.

Best regards,

                                                Ikuo KURISAKI




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Received on Tue Aug 08 2017 - 18:30:03 PDT