[gmx-users] Regarding GROMACS

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= 5, 50 dt =0.002, (that means 100 PS , 1000 PS) in md.mdp

[gmx-users] (no subject)

Dear All, can anyone send me the GROMACS Script file to run in cluster. Email id: sivanandam...@gmail.com M.SIVANANDAM Research Scholar Department of Physics Periyar University Salem-636 011 Mobile- 9965582730, 9042066076