On Fri, May 13, 2016, Shreeramesh wrote:
>
> I tried to run antechamber for the ligand (lig.mol2) and I got the
> following error. Can you please kindly help me to solve this
When I run this command, everything is fine:
antechamber -i lig.mol2 -fi mol2 -o dac.mol2 -fo mol2 -c bcc
Things to look at:
a. Look at the sqm.in and sqm.out files: is there any indication of what
sort of error is being encountered?
b. Does your installation pass the antechamber tests, especially (say)
the fluorescein test?
> Error: cannot run "/apps/chpc/chem/amber/14/bin/sqm -O -i sqm.in -o
> sqm.out" of bcc() in charge.c properly, exit
This indicates that the sqm step failed, which is why I suggest that you
look at the sqm.in and sqm.out files.
....dac
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Received on Fri May 13 2016 - 08:00:03 PDT
