Re: [gmx-users] increasing md run speed

2018-06-24 Thread Mark Abraham
Hi, You might be, but you need to look at the bottom of the log files for performance feedback. What is common and different? Mark On Sun, Jun 24, 2018 at 6:23 AM neelam wafa wrote: > Hi, I have run a 100 ps simmulation of the same protein with different > ligand and its producing

[gmx-users] increasing md run speed

2018-06-22 Thread neelam wafa
Dear gmx users! I am running md simmulation of a protein with different ligands but the speed is decreasing with every simmulation. In first one it was 25hrs/ns, for second one it became 35 hrs/ns then 36hs/ns. what can be the reason? I am using this command for the run. How to select the value