Dear Prof. David,
I want to put two ligand molecules (both are the same) into my DNA for MD
simulation. I tried to put NMR restraints so that the two ligand molecules
were at two different positions (as per NOE contacts). Can you help me in
going ahead with the restrained MD simulation? I made the pdb with two
ligands and ran minimization it is giving errors of SEGMENTATION error.
Can you please provide input regarding this?
Thank you,
Regards,
Maya
--
Maya S Nair
Assistant Professor
Department of Biotechnology
IIT Roorkee
India
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Received on Sat Aug 05 2023 - 05:30:02 PDT
