Dear AMBER users,
I am simply trying to use ptraj to create an average pdb structure. My file
has 574 atoms. When I load it into leap it says "574 atoms." I save the
.prmtop and then use it with ptraj to run my ptraj script. The message I get
is:
WARNING in ptrajProcessInputCoordinates(): Unexpected number of atoms
encountered when reading PDB!
loadPdb returned 579
getCoordinatesFromPdb returned 574
actual number of atoms is 574
How is this possible? Where are these atoms comming from and what can I do
to solve this? Thank you for any help or advice.
Thanks,
Seth
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Received on Fri Apr 18 2008 - 21:19:19 PDT
