Dear amber developers,
I have a question about the following e-mail.
From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 13 Dec 2013 12:25:18 -0800
Hi Igor,
It is planned for AMBER 14 (the next version of AMBER, we are skipping 13).
All the best
Ross
On 12/13/13 12:17 PM, "Igor Marques" <igor.dragon88.gmail.com> wrote:
>to the amber devs:
>
>will pmemd.cuda support COM restraints in the near future?
>
>many thanks,
>igor
>
Amber14 has already been released.
Do you have a plan that pmemd.MPI or pmemd.cuda support COM restraints in the near future ?
I would appreciate it if you give us a comment about this question.
Of, course I know that we can treat the center of mass by using sander.MPI
Sincerely yours
Takeshi Baba
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Takeshi Baba
Division of Chemical Engineering,
Department of Materials Engineering Science,
Graduate School of Engineering Science,
Osaka University, Toyonaka, Osaka 560-8531, JAPAN
Tel: +81-6-6850-6266, Fax: +81-6-6850-6268
E-mail: tbaba.cheng.es.osaka-u.ac.jp
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Received on Tue Jul 01 2014 - 06:00:02 PDT
