<div><em>hello everybody,</em></div>
<div><em>i am new user to GROMACS,</em></div>
<div><em>i want to perform simulations on docked protein ligand complex,</em></div>
<div><em>During the conversion of the PDB file i came to such a problem:<br></em><i>just before the end of conversion the program pdb2gmx.exe told that my<br></i><i>PDB file compound is not included into Gromacs residue topology database.
<br></i><i>Directly as it says:<br></i><em>" Fatal error: Residue ''M_3' not found in residue topology database "</em> (which is docked ligand in the protein)<br><i>Woud you be so glad to tell me how can I resolve this problem?
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<div>looking forward to your help</div>
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<div>tahnks in advance.<br> </div><br clear="all"><br>-- <br>Archana Chavan<br>MS (Pharm)Pharmacoinformatics<br>National Institute of Pharmaceutical Education and Research (NIPER)<br>Mohali-160 062<br>Punjab, India.<br>phone:+91-(0)-9888847223