[gmx-users] Ryckeat-Bellemans Potential in Charmm forcefield (XUEMING TANG)

XUEMING TANG yujan2007 at gmail.com
Wed Nov 14 19:14:46 CET 2012

Hi Stephane

So if I could use CHARMM dihedral potential in charmm force field, I donot
need to consider the RB potential? I used to use GROMOS forcefield that
need to consider RB. I recently tried CHARMM and wondered if I should use
RB potential in CHARMM or not.


On Wed, Nov 14, 2012 at 6:26 AM, ABEL Stephane 175950
<Stephane.ABEL at cea.fr>wrote:

> Hello,
> Can you explain why you want to use/convert the RB form for your alkane
> dihedral angles instead of the usual CHARMM dihedral potential form
> available in charmm force field library available in the GROMACS
> distribution ?
> Stephane
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