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Please I would like to know if you have already worked with namd2 for protein-ligand and thank you.
I'm facing FATAL ERROR: BAD vdW PAIR FORMAT IN CHARMM PARAMETER FILELINE=*set para*Any solution? and can you please share the parameter files?
@@MdHasibulHossain-qx5ng This is an unfortunate incompatibility between the official CHARMM parameter files and NAMD. NAMD should really just ignore this stuff. You can comment out (using “!”) the lines in the parameter file causing these errors.
Please I would like to know if you have already worked with namd2 for protein-ligand and thank you.
I'm facing
FATAL ERROR: BAD vdW PAIR FORMAT IN CHARMM PARAMETER FILE
LINE=*set para*
Any solution? and can you please share the parameter files?
@@MdHasibulHossain-qx5ng This is an unfortunate incompatibility between the official CHARMM parameter files and NAMD. NAMD should really just ignore this stuff. You can comment out (using “!”) the lines in the parameter file causing these errors.