Re: [gmx-users] Dihedral angle in OPLS-AA force field

2006-09-11 Thread David van der Spoel
[EMAIL PROTECTED] wrote: Dear All, I have a basic question on Dihedral angle in OPLS-AA force field. I read some of the papers related to development of OPLS force field where they have different formula for calculating the torsion angle I think that is Ryckaert-Bellemans function, but there is

Re: [gmx-users] Dihedral angle in OPLS-AA force field

2006-09-11 Thread David van der Spoel
[EMAIL PROTECTED] wrote: Dear All, I have a basic question on Dihedral angle in OPLS-AA force field. I read some of the papers related to development of OPLS force field where they have different formula for calculating the torsion angle I think that is Ryckaert-Bellemans function, but there is