[gmx-users] Regarding GROMACS

Sivanandam M sivanandamphy at gmail.com
Fri Jul 3 03:58:01 CEST 2015

Dear Gromacs users,
                                   I have problem in running final step
(md.mdp). i ran the job as  nsteps=5000, dt=0.002, it is for 10 PS level.
it runs properly. After that i increased the values  nsteps= 50000, 500000
dt =0.002, (that means 100 PS , 1000 PS) in md.mdp file.It also gives
output same as a  10 PS. i have attached my md.mdp and Gromacs script file
from this mail. Please give your valuable suggestion how to  I run more
than 10 PS level.

Thank you

Research Scholar
Department of Physics
Periyar University
Salem-636 011
Mobile- 9965582730, 9042066076

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