Re: [AMBER] need QMMM interface for TURBOMOLE

From: David A Case <>
Date: Mon, 7 May 2018 07:39:11 -0400

On Thu, May 03, 2018, 陈金峰 wrote:

> I used to major in the QM/MM calculations,and recently I got
> amber18. And I have seen that you can provide QM interface for the
> users.So because I used to use TURBOMOLE and charmm for QMMM. Could
> please offer a interface between amber18 and TURBOMOLE to achieve QMMM
> calculations?

Based on the lack of response, I'm guessing that this is unlikely to
happen: the subset of Amber developers who have an interest in QM/MM
mostly likely don't have access to Turbomole. You could consider
adapting one of the existing interfaces to be compatible.

...good luck....dac

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Received on Mon May 07 2018 - 05:00:03 PDT
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