Hi,
It's my first time using Amber 16 and I am not sure how to parameterize
crystal water. I tried the leaprc.water.tip3p, I tried gaff2 and I also
tried frcmod.ionsjc_tip3p. None of them worked and I can't save the prmtop
file
FATAL: Atom .R<HOH 457>.A<O 1> does not have a type.
FATAL: Atom .R<HOH 458>.A<O 1> does not have a type.
FATAL: Atom .R<HOH 459>.A<O 1> does not have a type.
FATAL: Atom .R<HOH 460>.A<O 1> does not have a type.
FATAL: Atom .R<HOH 461>.A<O 1> does not have a type.
Failed to generate parameters
Parameter file was not saved.
Could you please help me with this.
Thank you
--
Yuliana Bosken
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Received on Wed Jan 17 2018 - 21:30:01 PST
