[gmx-users] simulation_uery

Ms. Nikita Bora niki24 at tezu.ernet.in
Thu Apr 28 18:07:08 CEST 2016

Sir, I am running a simulation for 50ns for a protein separately and also
with a ligand docked to the protein. The mdp files and all are same for
both the run , but however while running the protein its taking only
around 3 days while running the protein-ligand docked complex its taking
around 7 days. I am not able to understand as to why there is so much of
difference in time taken.

Yours faithfully
Nikita Bora

This e-mail may contain privileged information and is intended solely for
the individual named. If you are not the named addressee you should not
disseminate, distribute or copy this e-mail. Please notify the sender
immediately by e-mail if you have received this e-mail in error and
destroy it from your system. Though considerable effort has been made to 
deliver error free e-mail messages but it can not be guaranteed to be secure 
or error-free as information could be intercepted, corrupted, lost, destroyed, 
delayed, or may contain viruses. The recipient must verify the integrity of 
this e-mail message.

More information about the gromacs.org_gmx-users mailing list