Hi Charlie,
On 3/11/2011, at 1:20 p.m., Charles Johnson wrote:
> Attached is my anneal script.
OK, it looks like you're trying to read NMR restraints (nmropt = 1), and there may be a problem in your &rst namelists. According to the instructions (see section 6.1 and following), sander will expect to find NMR restraints in the file name you give as an argument to DISANG; your mdin file (what you've called an "anneal script") says that it will look for a DISANG file called, "RST". Do you have such a file?
Cheers,
Ben
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Received on Thu Nov 03 2011 - 11:00:03 PDT
