[gmx-users] Can I use different force field functions for a molecule
Mark Abraham
Mark.Abraham at anu.edu.au
Fri Dec 8 03:33:38 CET 2006
intelandamd wrote:
> Dear
> I want to know whether I can use different functions in a molecule
> without making extra code.For example in a methanol molecule,I want to
> use Harmonic potential for C-H bond and use Morse pontential for C-OH
> bond. Besides,in user specified potential functions,I want to know
> whether I can use different potential functions without extra code.Thank
> you.
Yes. Read chapter 5 of the manual.
Mark
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