Re: [gmx-users] Error in Umbrella sampling command

2013-11-07 Thread Justin Lemkul
On 11/7/13 6:27 AM, Arunima Shilpi wrote: Dear Sir Presently I am working with the example file as given in the umbrella sampling tutorial. While running the following command grompp -f npt_umbrella.mdp -c conf0.gro -p topol.top -n index.ndx -o npt0.tpr I got the following error. How to debu

[gmx-users] Error in Umbrella sampling command

2013-11-07 Thread Arunima Shilpi
Dear Sir Presently I am working with the example file as given in the umbrella sampling tutorial. While running the following command grompp -f npt_umbrella.mdp -c conf0.gro -p topol.top -n index.ndx -o npt0.tpr I got the following error. How to debug this error. Ignoring obsolete mdp entry 't