On Thu, Mar 22, 2018, david stephen wrote:
> Thanks for your email.I am completely new to pysmst code. Could you
> please tell me the website and manual for the code
It's unclear how hard you tried here: Chapter 15.8 of the Amber 2017
Reference Manual is titled "Python Metal Site Modeling Toolbox (pyMSMT)"
If you look at the tutorials at ambermd.org, you will find a "Metal Ion
Modeling Tutorial".
These should get you started. Don't forget search engines: someone may
already have developed a force field for your system, or one rather like
it.
....dac
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Received on Thu Mar 22 2018 - 05:30:02 PDT
