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
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.