Dear AMBER community,
After running tleap command, solvate.out file is showing the following
error for phosphate ion:
The file contained 20 atoms not in residue templates
Checking Unit.
FATAL: Atom .R<PO4 1821>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1821>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1822>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1822>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1823>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1823>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1824>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1824>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1825>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1825>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1826>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1826>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1827>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1827>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1828>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1828>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1829>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1829>.A<O 2> does not have a type.
FATAL: Atom .R<PO4 1830>.A<P 1> does not have a type.
FATAL: Atom .R<PO4 1830>.A<O 2> does not have a type.
amber22/bin/teLeap: Fatal Error!
Failed to generate parameters
Exiting LEaP: Errors = 1; Warnings = 21; Notes = 0.
*Please suggest me any solution for rectifying this error. *
Thanks and Regards,
Kajal Abrol
Research Scholar
Department of Bioinformatics
Pondicherry University
Puducherry
India
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Received on Sat Aug 19 2023 - 05:30:02 PDT
