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
