I am working on a molecular dynamics simulation in protein-ligand system, using NAMD software, and I got the following error.
"FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR HGA1 CG3C51 SG311 (ATOMS 1753 1752 1770)"
The atoms mentioned above belong to the ligand structure. The .str and topology files for the ligand were generated using Charmm-gui. Can someone help me to solve this failure? Thank you in advance.
Hi Aashish,
Of course, thank you in advance for your help. I´m attaching the psf file along with the pdf file. I´ll appreciate any assistance you can give me.
Hello. Was it possible for you to solve the issue? I have kind of simmilar problem. While trying to upload my prot+lig.pdb file, CHARMM GUI PDB reader detects '-' as invalid character and misses Hydrogens for the protein.
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