Re: [gmx-users] Lysozyme-Water Tutorial problem : em.tpr

2014-08-08 Thread Justin Lemkul
On 8/8/14, 2:53 PM, Agnivo Gosai wrote: Dear Users I have been following the Lysozyme in Water tutorial by Dr. Lemkul step by step (GROMACS Version 4.6.5) and I must confess that I am a beginner. I am now stuck in Step 5 : Energy Minimization. I had performed the step :- *grompp -f minim.mdp

[gmx-users] Lysozyme-Water Tutorial problem : em.tpr

2014-08-08 Thread Agnivo Gosai
Dear Users I have been following the Lysozyme in Water tutorial by Dr. Lemkul step by step (GROMACS Version 4.6.5) and I must confess that I am a beginner. I am now stuck in Step 5 : Energy Minimization. I had performed the step :- *grompp -f minim.mdp -c 1AKI_solv_ions.gro -p topol.top -o em.tp