Re: [AMBER] dist restraint

From: e p <epepgene1.gmail.com>
Date: Fri, 1 Jul 2011 20:10:04 -0700

Dear David
thanks for your attention and answer.
Best Regards

On Thu, Jun 30, 2011 at 5:10 AM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Wed, Jun 29, 2011, e p wrote:
> >
> > I prepare dist.RST but I cant run amber
> >
> > One of the processes started by mpirun has exited with a nonzero exit
> > code. This typically indicates that the process finished in error.
> > If your process did not finish in error, be sure to include a "return
> > 0" or "exit(0)" in your C code before exiting the application.
> >
> > PID 4291 failed on node n0 (127.0.0.1) with exit status 1.
> > please help me because I am new in amber
>
> In general, if you have problems, run a serial test case, not parallel.
> In general, if you have problems, don't ask for 5 million steps with
> ntpr=1000; ask for 10 steps with ntpr=1
>
> You have this in your mdin file:
>
> temp0=298.0,
> jar=1,
> /
> &wt TYPE='DUMPFREQ', istep1=1,
> &wt TYPE='END', /
>
> There is no ending "/" character for the first &wt namelist.
>
> ...good luck...dac
>
>
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Received on Fri Jul 01 2011 - 20:30:03 PDT
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