Re: AMBER: Fwd: antechamber save prmtop inpcrd

From: Francesco Pietra <chiendarret.yahoo.com>
Date: Wed, 4 Jul 2007 14:08:02 -0700 (PDT)

--- "David A. Case" <case.scripps.edu> wrote:

> On Wed, Jul 04, 2007, Francesco Pietra wrote:
>
> >
> > In both cases (sustiva and my own molecule) the saveparm ... command
> reported
> > on the xleap screen (last visible portion for ) the same substance. For my
> > molecule:
> >
> > ........
> > <EQA 1> : C39 C41 C40 H43
> > <EQA 1> : C40 C38 C39 O10
> >
> > total 30 improper torsions applied
> >
> > 28 improper torsions in old prep form
> >
> > Building H-Bond parameters.
> >
> > Not masking per-residue atom chain types.
> >
> > Marking per-residue atom chain types.
> > (Residues lacking connect 0/connect 1-
> > these don't have chain type marked:
> >
> > res total affected
> >
> > WAT 1667
> > )
> >
> > (no restraints)
>
> This is all normal. Where does it say "not saved"???


When accessing the xleap menu

File -> Quit

a window appears warning that it was not saved and if you wish to save
nonetheless. I have memorized, not written the warning message. Should you like
to have the exact copy of what happens with my system, I'll run that again. I'm
not at that computer now and it is getting late in the night now.

francesco pietra


>
> >
> > I quitted from xleap by killing the X system
> > (Ctrl-Alt-Backspace)
>
> Typing the command "quit" should also work.
>
> ...dac
>
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Received on Sun Jul 08 2007 - 06:07:16 PDT
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