Does amber do it directly? Or I should do it using other software or srvers?
On Sunday, April 3, 2016 5:35 PM, David A Case <david.case.rutgers.edu> wrote:
On Sun, Apr 03, 2016, mohammad r wrote:
> Does MM simulation depend on the force field which I used? Because QM
> calculation depends on the force field which I used and according to
> that I used amber force field I asked it here. Indeed I was thinking
> that amber tools can do it for me.
I don't have any idea about how gromacs handles QM (or QM/MM) calculations.
So I'm not able to offer good answers to your questions.
Yes: MM simulations depend on the force field that is used. If you are new to
this field, I strongly suggest running some peptide-water simulations using MM
first, before thinking about trying to use QM. And, for new users, I'd
suggest using either Amber or gromacs, and not trying to mix the two.
...good luck....dac
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Received on Sun Apr 03 2016 - 11:30:02 PDT
