On Tue, Nov 29, 2005, Sergey Krishtal wrote:
>
> In both cases, I've got the message: "Installation of Amber (parallel)
> completed". However, when I tried to run REMD simulations, I've got the
> following: "mdfil: Error unknown flag: -rem".
First, make sure that mdfil (and the rest of the code) is really getting
compiled with the -DREM flag. Look at _mdfil.f for example, and look for the
"-rem" string.
Second, (if that doesn't solve it), please post the command line you are using
to invoke this.
[I'm assuming that you have downloaded the replica exchange test suite from
the Amber web site, and that your system passes the tests. If you haven't
done this step, please do so, and report the results.]
....good luck....dac
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Received on Tue Nov 29 2005 - 17:53:00 PST
