Hi David,
Thanks for your reply. I am trying a few things at my end and hopefully
will be able to ask you a better question along the line.
The errors were so not-understandable that I just didn't know what to write
and what not.
Thanks
~Surma Talapatra
On Thu, 27 Oct 2011 08:15:13 -0400, David A Case <case.biomaps.rutgers.edu>
wrote:
> On Tue, Oct 25, 2011, tsurma.umich.edu wrote:
>>
>> However, I have a new question. I am not able to run sander.MPI for
>> NMPIMD
>> simulations with CN- in H2O that has 2 extra points (EP) attached to C
>> atom.
>
> I don't think people on the list will be of much help: first, you are
> trying
> something pretty unusual, with locally-modified code, and only a few
people
> (like Francesco Paesani, whom you should contact directly) are really
> familiar
> with the details of the NMPIMD code.
>
> Second, just saying "I am not able to run sander.MPI" is more or less
> useless. Sometimes hearing what actually went wrong will trigger an idea
> from someone on the list, but that can't happen if all you say is "it
> didn't work".
>
> ...good luck....dac
>
>
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Received on Thu Oct 27 2011 - 07:30:03 PDT
