[gmx-users] Re: MM-GB/SA analysis in Gromacs

Hi Andrea, Thanks for bringing forth the paper. I was planning to do a similar work. I have been running protein-ligand simulations and would very much like to use the tool mentioned in the paper to calculate the binding free energy. If it is possible for you to kindly give me an access, plz do

[gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology

hello justin, I got one more error, please help me out again. I got the em.gro instead of confout.gro. I reached an area per lipid of ~52 Å2 for POPE bi layer. Next i tried to add ions to the system after solvating with water. i get the following error. Program grompp, VERSION 4.5.4 Source cod