On Mon, Jul 28, 2014 at 7:13 PM, 肖立 <xiaoli19871216.gmail.com> wrote:
> Hi, David and Jason:
> Thanks a lot for the answering. I use the amber14 which is just
> installed last month. The probem is that the tleap can load the structure
> successfully, and also can build a prmtop file and inpcrd file without an
> error. But the inpcrd is missing 78 atoms.
> And also, when we build the pdb, it contains the right number of
> atoms. And the pdb file can be loaded into the prmtop file in VMD. We know
> the prmtop and pdb file have the same number of atoms. Do you have any idea
> why tleap build an incomplete inpcrd file?
>
Please re-read my last response. This was a known bug with tleap that
occurred on some systems that has already been fixed. Please update your
Amber installation by re-running the configure script (which will ask you
if you want to apply updates) and then recompiling.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Jul 28 2014 - 16:30:02 PDT
