[gmx-users] how to get charmm force field input file for MD

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 16 12:52:26 CET 2008

sarbani chattopadhyay wrote:
> hi,
>   This is not specificaly A GROMACS related question.
>   I want to do MD simulations using CHARMM force field using GROMACS. I 
> am aware of the
> perl programs written by M. ABRAHAM and look forward to using it. I want 
> to know which is
> the most convenient way in which I can get the CHARMM force field input 
> file.

Google will find the official CHARMM force fields. Various modified 
versions etc. might best be obtained from the websites of the authors of 
the papers that describe them.


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