On 4/28/19 9:53 PM, Neena Susan Eappen wrote:
Hello gromacs users,
My goal is to calculate all-atom rmsd of every structure in the
trajectory(.trr) to the final structure after simulation (.gro).
Q1) So, I don't understand the purpose of giving .tpr input file (which was the
input
Hello gromacs users,
My goal is to calculate all-atom rmsd of every structure in the
trajectory(.trr) to the final structure after simulation (.gro).
Q1) So, I don't understand the purpose of giving .tpr input file (which was the
input structure file before production mdrun) as a structure
