Re: [gmx-users] Umbrella sampling Tutorial by Dr. Lemkul

2016-06-07 Thread Justin Lemkul
On 6/7/16 3:13 AM, amitbe...@chemeng.iisc.ernet.in wrote: Hello, I was running the simulation for the umbrella sampling tutorial by Dr. Justin Lemkul in GROMACS 5.1.2 and I followed the steps exactly as they were mentioned. But in my summary_distances.dat there is one column. the COM column is

[gmx-users] Umbrella sampling Tutorial by Dr. Lemkul

2016-06-07 Thread amitbehra
Hello, I was running the simulation for the umbrella sampling tutorial by Dr. Justin Lemkul in GROMACS 5.1.2 and I followed the steps exactly as they were mentioned. But in my summary_distances.dat there is one column. the COM column is missing. I am new to gromacs . So please help me out.