Re: Charmm is not free so how to learn it

From: Philip Peartree (P.Peartree_at_postgrad.manchester.ac.uk)
Date: Sun Jun 15 2008 - 09:38:02 CDT

The main things you will need to know is how the forcefield is
calibrated (search for Alex McKerell's work on this) and the
mathematics behind the forcefield which I think is pretty standard for
MM forcefields but is probably also detailed in Alex McKerell's work.

As for free CHarMM, it should be said that you're unlikely to get an
answer on this here, especially since some of the charmm developers
are on here... it's not that expensive if you are in academic
research, and a new version is due in august (ish) but it's by far and
away one of the most annoying packages I've ever used, NAMD is far
simpler!

Phil Peartree
University of Manchester

Quoting abhijit ramachandran <abhi_adroit_at_yahoo.com>:

> Hi all
>
> I am new to NAMD and i had previous question about how to calibrate
> a force field and it was suggested that i understand charmm, but
> unfortunately i found out online that it was not a free software, so
> how can i learn it, since i was planning to go through its exercise
> and then move onto NAMD to configure the force field, so any
> suggestions on how can i learn understand CHARMM usage or how can i
> download it for free from somewhere, please reply. Thanks !!!
>
> Abhijit R
>
>
>

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