Dear All,
I have a protein with an organic ligand. I have the force field
parameters (.frcmod) and .lib files for the ligand. I can easily creat
the prmtop and inpcrd files for this complex. Now my question is when
I use savepdb command in tleap to save this complex I have noticed
that the residue name for ligand change to MOL. I have tried with an
other ligand and found a similar thing that the ligand name change to
MOL.
Further analysis of prmtop file also indicated that it also have a MOL
entry. Please help me how I can keep the original name of the ligand
when saving a PDB file with savepdb command or I have to manually
change it every time.
Regards
Imtiaz
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Received on Tue Mar 30 2010 - 11:00:02 PDT
