Hi Dear AMBER users:
I try to create inpcrd and prmtop files for sylibinin, I followed steps in
tutorial number 4. I have checked many times my bonds, atom type, and I
think everything is ok (I send such file). I have many days trying it,
even I summit to RED server. without good results. I have executed in my
computer RED -III.5I tools without results.
If I use antechamber appears next message:
cannot run "/home/carlos/amber11/bin/sqm -O -i sqm.in -o sqm.out" of bcc()
in charge.c properly, exit
If I run perl RED-vIII.pl appears next message:
SCF not converged, try another geometry.
I will thanks if you can help me
Regards
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Received on Mon Apr 21 2014 - 22:00:02 PDT
