[gmx-users] chirality changes during the simulation

Dear GMX users, I have some trajectories of Ala-Ala dipepetides with COOH terminals (Cap-Ala-Ala-COOH), However, I saw the chirality of the Ala-COOH doesn't maintained as L form during the simulation, there are D-forms, is it because there are some lacks of parameters of this part or Gromacs

Re: [gmx-users] chirality changes during the simulation

On 6/06/2012 8:31 AM, mu xiaojia wrote: Dear GMX users, I have some trajectories of Ala-Ala dipepetides with COOH terminals (Cap-Ala-Ala-COOH), However, I saw the chirality of the Ala-COOH doesn't maintained as L form during the simulation, there are D-forms, is it because there are some