On Wed, Feb 05, 2020, ankita mehta wrote:
>i wanted to generate prmtop and inpcrd files of attached pdb.
>But , it is giving me errors.
If you haven't yet done so, do a Google search on Amber "does not have a
type". You'll get the general idea.
Your pdb file has a N-terminal alanine with an H atom in it. But the
Amber library for alanine in an Nterminal position uses H1/H2/H3, but no
H.
Simplest solution is to remove the H atom from the pdb file: tleap will
build in the H1/H2/H3 for you.
....dac
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Received on Wed Feb 05 2020 - 11:00:02 PST
