RE: [gmx-users] CHARMM force field implementation in Gromacs : conversion of periodic into Ryckaert-Bellemans parameters.

2006-09-13 Thread Mu Yuguang (Dr)
That's why I use a second step to modify the created top file to add such specific dihedral angle explicitly in the top file. >I have noticed that both in the Yuguang Mu's and the Mark Abraham's work, >the periodic parameters of dihedral angles have been converted into >Ryckaert-Bellemans ones. I

Re: [gmx-users] CHARMM force field implementation in Gromacs : conversion of periodic into Ryckaert-Bellemans parameters.

2006-09-12 Thread Mark Abraham
> Hello, > > I have noticed that both in the Yuguang Mu's and the Mark Abraham's work, > the periodic parameters of dihedral angles have been converted into > Ryckaert-Bellemans ones. I have tried to find more info about this in the > CHARMM and Gromacs documentations but I have not found much. Why