Hi there, while running energy minimization using the steep integrator.. 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 ? I am not able to continue for further steps with this .gro file Following is a part of the generated .gro file after energy minimization
1545SOL OW 6510 0.909 1.951 5.716 1545SOL HW1 6511 0.944 1.958 5.622 1545SOL HW2 6512 0.971 1.896 5.771 1546S18 5.883 1542SOL H 2.021 6.086 1546691 5.944 514 1.796 2.010 6.016 2.705 5.788 1543SOL OW 6504 1.794 3.585 6.747 1543SOL HW1 6505 1.853 3.619 6.673 1543SOL HW2 6506 1.754 3.497 6.720 1544SOL OW 6507 1.243 3.597 6.688 With Thanks, Vivek
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