Hi,<br><br>I recently converted a PDB file to a .gro using pdb2gmx and I noticed that the .gro truncates and rounds a digit from the atomic co-ordinates. Am I making a mistake somewhere?<br><br>For example on atom 1, the .pdb file lists the co-ordinates: <br>
-> 35.375 22.352 -11.970<br>where the .gro lists:<br>-> 3.538 2.235 -1.197<br><br>The command I used was 'pdb2gmx -f input.pdb -o output.gro -ff oplsaa -water tip5p -p topol.top -i posre.itp -ignh'<br><br>
I realize that the co-ordinates are converted into nm from angstroms, but the least significant digit is lost. <br><br>Thanks in advance for your replies,<br>Matt<br>