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Dear Sir,
I need help, I did Bfee after protein ligand md equilibrium simulation in bulk of water in namd, and after that I did all described in tutorial bfee. I got eight abf. conf and colvar.in for eight different simulations, and I did each of those simulation. But when I tried to run simulation about distance (R) It just ends after initial psf and pdb readings. In log file I got no info about the error. Only in terminal it writes message :"Killed". I tried to remove margins because last sentence in log file is about patch grid, but no change. I will appreciate any input or help. Thanks in advance!
The text was updated successfully, but these errors were encountered:
Dear Sir,
I need help, I did Bfee after protein ligand md equilibrium simulation in bulk of water in namd, and after that I did all described in tutorial bfee. I got eight abf. conf and colvar.in for eight different simulations, and I did each of those simulation. But when I tried to run simulation about distance (R) It just ends after initial psf and pdb readings. In log file I got no info about the error. Only in terminal it writes message :"Killed". I tried to remove margins because last sentence in log file is about patch grid, but no change. I will appreciate any input or help. Thanks in advance!
The text was updated successfully, but these errors were encountered: