On Tue, Mar 05, 2024, Sayan Poddar via AMBER wrote:
>I am facing an issue while running the ANTECHAMBER module of amber. I want
>to generate the library file for a ligand, but when I am running the leap.in
>file for generating the library file it is giving an error message.
>
>*This are the two error message it it showing*
>
>/home/software/amber/amber20/bin/teLeap: Error!
>Could not find angle parameter: ne - c2 - cy
>
>/home/software/amber/amber20/bin/teLeap: Error!
>Could not find angle parameter: ne - c2 - cy
>
>However, surprisingly it is still generating the library file. So is it
>safe to ignore these error messages and proceed with the generated library
>file?
To get a working new unit (in tleap) you need to do two things:
run antechamber to get the library file (in a .mol2, .off or .lib format,
generally)
run parmchk2 to generate a frcmod file, which also needs to be loaded
into tleap.
It looks like you may not have carried out the second step(?). If you did
run parmchk2, look for any errors that may have occurred at that step.
...good luck...dac
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Received on Wed Mar 06 2024 - 20:00:02 PST
