[gmx-users] Charmm Sugars/carbohydrates

Andrew Paluch apaluch at nd.edu
Wed Dec 7 19:29:15 CET 2011


All of the Charmm force field parameters may be found on Alex  
MacKerell's website: http://mackerell.umaryland.edu/ 
CHARMM_ff_params.html. Converting from Charmm units and potential  
form to Gromacs is straightforward.

Andrew

On Dec 7, 2011, at 12:59 PM, Michael McGovern wrote:

> Hi everyone. I'm doing a simulation in gromacs using the charmm36  
> parameters from the gromacs website. The parameters don't seem to  
> have carbohydrates, which are part of the charmm36 force field. In  
> particular, I need parameters for trehalose. Is there anywhere I  
> can find these parameters in a format suitable for gromacs?
> -- 
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