[gmx-users] Ryckeat-Bellemans Potential in Charmm forcefield (XUEMING TANG)
yujan2007 at gmail.com
Wed Nov 14 19:14:46 CET 2012
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:
> 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 ?
> gmx-users mailing list gmx-users at gromacs.org
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users