<div dir="ltr">Hi there,<br>while running energy minimization using the steep integrator..<br>I am getting corrupted .gro file ...which is having irregularity in file format.. Can anybody help me in figuring out the reason and how can I get rid of this problem ?<br>
I am not able to continue for further steps with this .gro file<br>Following is a part of the generated .gro file after energy minimization<br><br><br> 1545SOL OW 6510 0.909 1.951 5.716<br> 1545SOL HW1 6511 0.944 1.958 5.622<br>
1545SOL HW2 6512 0.971 1.896 5.771<br> 1546S18 5.883<br> 1542SOL H 2.021 6.086<br> 1546691 5.944<br>514 1.796 2.010 6.016<br> 2.705 5.788<br> 1543SOL OW 6504 1.794 3.585 6.747<br> 1543SOL HW1 6505 1.853 3.619 6.673<br>
1543SOL HW2 6506 1.754 3.497 6.720<br> 1544SOL OW 6507 1.243 3.597 6.688<br><br><br>With Thanks,<br>Vivek<br></div>