[gmx-users] reasons for slow computation?

Hi all, I am doing MD simulation on two almost identical protein-ligand systems with GROMACS4.5.4 and amber99SB force fields. Almost every single parameter I used for this two systems are the same (I literally copied the mdp files for both), except that one has 65235 atoms while the other has

Re: [gmx-users] reasons for slow computation?

Yun Shi wrote: Hi all, I am doing MD simulation on two almost identical protein-ligand systems with GROMACS4.5.4 and amber99SB force fields. Almost every single parameter I used for this two systems are the same (I literally copied the mdp files for both), except that one has 65235 atoms