Thank you Dac, Jason and Bill for your help
> source leaprc.ff99bsc0
>
> This won't work, since the file you are referencing doesn't exist; (it is
> in
> the "oldff" subdirectory, as an obsolete force field.) But the output
> above
> doesn't contain any error message like "Could not open file
> leaprc.ff99bsc0:
> not found". So I'm concerned that the leap.in file you posted is not the
> one
> you were actually using.
>
Sorry for incomplete copy, it showed message for leaprc.ff99bsc0 file not
find
> First, be sure that tleap passes the test suite. Second, try to make a
> minimal example with the smallest possible leap.in file. I'd suggest not
> using the "-f" flag to tleap: just type in the commands by hand at the
> command
> prompt, and see exactly when the error occurs. You may need to reinstall
> Amber, to be sure that you don't somehow have a corrupted file.
I re-install the AmberTool with latest version 14.26 but again it showed
the same error.
So check the error step by step and I found the all are fine and passing
through tleap
except
set WAT.1 name "SP
C
" ( I check with other water models also showing the same error )
After giving this command tleap gives Segmentation fault error. After
commenting this
line in leap.in tleap generate topology and crd file successfully.
I think this is not serious issue in running simulation because this
command will just change
residue name SPC instead of WAT in out pdb file. Correct me if I am wrong.
Thanks
Rahman
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Received on Mon Apr 27 2015 - 23:30:03 PDT
