Re: [gmx-users] Charmm Sugars/carbohydrates

2011-12-07 Thread Andrew Paluch
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.

[gmx-users] Charmm Sugars/carbohydrates

2011-12-07 Thread Michael McGovern
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