Re: [gmx-users] fixing split molecules in trajectory file

On 8/9/12 7:02 PM, Paula Andrea Delgado Pinzon wrote: Good afternoon, I run a molecular dynamics simulation of two protein complex with periodic boundaries, when i check the trajectory file i realized that the molecules were split so i decided to use the trjconv command with the option -pbc, i

[gmx-users] fixing split molecules in trajectory file

Good afternoon, I run a molecular dynamics simulation of two protein complex with periodic boundaries, when i check the trajectory file i realized that the molecules were split so i decided to use the trjconv command with the option -pbc, i tried with -pbc atom, -pbc res and they didn't seem to