Dear AMBER Users and Experts,
I am trying to solvate a protein using LeaP. Here is the syntax I tried:
source leaprc.ff99SBildn
loadoff tip4pdbox.off
loadamberparams frcmod.tip4pd
protein = loadpdb model.pdb
addions protein Cl- 0
solvatebox protein TIP4PDBOX 18
saveamberparm protein model.prmtop model.inpcrd
However, it shows this error:
Error: For atom (.R<WAT 31543>.A<H1 2>) could not find vdW (or other)
parameters for type (HW)
Error: For atom (.R<WAT 31543>.A<H2 3>) could not find vdW (or other)
parameters for type (HW)
Error: For atom (.R<WAT 31544>.A<H1 2>) could not find vdW (or other)
parameters for type (HW)
Error: For atom (.R<WAT 31544>.A<H2 3>) could not find vdW (or other)
parameters for type (HW)
Error: For atom (.R<WAT 31545>.A<H1 2>) could not find vdW (or other)
parameters for type (HW)
)
What is wrong with the syntax above?
Thank you.
PN
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Dec 01 2023 - 16:30:02 PST
