On Thu, Aug 08, 2019, Dan Roe wrote:
>
>On Wed, Aug 7, 2019 at 9:51 AM Hira Jabeen <hira_bioinfo.yahoo.com> wrote:
>> Error: Number of atoms in NetCDF file (26659) does not match number
>> Error: in associated topology (26643)!
>
>Can you also provide (either on the list or directly to me off list)
>the topology file (1m40_mem.prmtop)? The NetCDF restart you provided
>does indeed have 26659 atoms, so cpptraj is at least getting that
>right.
As a preliminary, just report the output of 'head 1m40_mem.prmtop': that
will show the number of atoms (as the first number in the file.)
....dac
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Received on Thu Aug 08 2019 - 09:00:03 PDT
