Are you able to reproduce the mmpbsa examples? If not, make sure your
installation is clean by removing the previous installation and reinstall.
All the best,
Ray
On Mon, Nov 8, 2010 at 6:26 AM, Alice Wang <compu.chem.w.gmail.com> wrote:
> 2010/11/8 Alice Wang <compu.chem.w.gmail.com>
>
> > Dear,
> >
> > I had use amber10 (ambertool1.2) to calculate the mmpbsa.
> >
> > In cal. the binding energy, the error is
> >
> >
> > Use of uninitialized value in concatenation (.) or string at
> > /home/program/amber10/src/mm_pbsa/mm_pbsa_calceneent.pm line 191.
> > Can't exec "-O": No such file or directory at
> > /home/program/amber10/src/mm_pbsa/mm_pbsa_calceneent.pm line 197.
> > -O -i sander_com.in -o sander_com.1.out -c
> > ../snapmd1/snapshot_com.crd.1 -p ../com.top not successful
> >
> > [1]+ Exit 2 mm_pbsa.pl mm_pbsa.in
> >
> > I had read the just patch the amber10 and ambertool1.2 patches.
> >
> > Before, mm_pbsa cal. is right.......
> > I had install ambertool1.4, but find my system is too old. I come back to
> > amber10/ambertool1.2, and patched the fixes, then get this errors
> >
> > any advices, thanks very much!
> >
> > Alice Wang
> >
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Received on Mon Nov 08 2010 - 10:30:03 PST
