[gmx-users] Forcefield question

2012-02-13 Thread Matthias Ernst
Hi, I am currently working with the AMBER forcefields provided by GROMACS. I noticed there are atoms in the forcefields (e.g. amber99 or amber03) with LJ parameters of 0.0 for sigma and epsilon. For example, the HO atom type is sometimes used (e.g. in SER or in the terminal Hs of DNA

Re: [gmx-users] Forcefield question

2012-02-13 Thread Mark Abraham
On 13/02/2012 9:46 PM, Matthias Ernst wrote: Hi, I am currently working with the AMBER forcefields provided by GROMACS. I noticed there are atoms in the forcefields (e.g. amber99 or amber03) with LJ parameters of 0.0 for sigma and epsilon. For example, the HO atom type is sometimes used