[AMBER] support of "center of mass restraint"

From: Takeshi Baba <tbaba.cheng.es.osaka-u.ac.jp>
Date: Tue, 1 Jul 2014 21:53:02 +0900

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

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,

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
   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
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