Re: [gmx-users] error during nvt equilibration

2012-11-29 Thread Justin Lemkul
On 11/29/12 12:40 AM, Shine A wrote: Sir, I am studying the dynamics of membrane proteins using KALP-15 in DPPC. Now doing nvt equilibration and created index.ndx by using make_ndx. During this step I selected "16/14" and "1/13".The next step (grompp -f nvt.mdp -c em.gro -p topol.top -n in

[gmx-users] error during nvt equilibration

2012-11-28 Thread Shine A
Sir, I am studying the dynamics of membrane proteins using KALP-15 in DPPC. Now doing nvt equilibration and created index.ndx by using make_ndx. During this step I selected "16/14" and "1/13".The next step (grompp -f nvt.mdp -c em.gro -p topol.top -n index.ndx -o nvt.tpr) getting error like thi