On Tue, Jan 14, 2014, Arun Kumar Somavarapu wrote:
>
> There is no other message before core dump.
I'm a little confused. In your earlier email, you said the that the sqm.out
file indicated a successful completion. But now you seem(?) to say that you
did not see the "Total number of electrons: 58; net charge: 0
Running: /home/case/amber12/bin/sqm -O -i sqm.in -o sqm.out" messages?
Or, did you get this message but just not report it?
>
> if i use glycam ff , can i use complex (protein + ligand) for input file
> preparation step with tleap ?
Yes...if you have a polymer that is "similar to 8-10 glucose units", using
Glycam is strongly recommended.
...dac
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Received on Mon Jan 13 2014 - 12:30:03 PST
