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Hello, <br><br>I'd like to ask a question about the conversion of the results of minimization to pdb format. Here is what I do: <br><br><ol><li>Apply pdb2gmx to the pdb file to convert it to .gro and .top (pdb2gmx -f -p -o)</li><li>Run editconf to define the box (editconf -d 1)</li><li>run gromp and mdrun for the minimization</li><li>Run editconf to re-convert back to pdb</li></ol><br>Unfortunately doing this seems to be adding some information into the pdb file that is not related to the atom coordinates. I think this might be trajectory data. Is there someway to remove this info? <br><br>Thank you in advance,<br>Abdullah <br><br><br> </body>
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