Thanks a lot Dear David. Yes, I am using AmberTools 11. I will upgrade to
AmberTools 14. I will be informing.
Regards
2014-04-22 13:05 GMT-05:00 David A Case <case.biomaps.rutgers.edu>:
> On Mon, Apr 21, 2014, Carlos Romero wrote:
> >
> > 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
>
> Works fine for me; it looks like you may be using quite an old version of
> amber
> (amber11??). I'd recommend downloading AmberTools14 and trying again. For
> me, sqm converged in 70 cycles of geometry optimization, and other parts of
> antechamber worked OK as well. The entire calculation took less than 5
> minutes.
>
> You should also look at what is in the sqm.out file for clues about the
> problem. If you still have trouble, please let us know the exact arguments
> you gave to antechamber, the compiler and operating system you are using,
> and any information you can get from the sqm.out file.
>
> ...good luck...dac
>
>
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Received on Tue Apr 22 2014 - 11:30:05 PDT
