[gmx-users] query regarding normal mode analysis

2010-03-18 Thread sarbani chattopadhyay
hi, I am trying to do a normal mode analysis on a protein.I tried to energy minimize the structure, but was not being able to bring the Fmax less than that of the order 1.0e-03. Then I used the following .mdp file where I used the l-bfgs minimization method, using cut-off

[gmx-users] query regarding normal mode analysis

2010-03-18 Thread sarbani chattopadhyay
hi, I am trying to do a normal mode analysis on a protein.I tried to energy minimize the structure, but was not being able to bring the Fmax less than that of the order 1.0e-03. Then I used the following .mdp file where I used the l-bfgs minimization method, using cut-off