AMBER:

From: Steve Seibold <seibold.chemistry.msu.edu>
Date: Fri, 19 Jan 2007 14:53:47 -0500

Hi Amber

I am trying to run MD with distance restraints. However, with the above
input file AMBER "freezes" up at "Resource Use" (see output file). I
realize my nstlim is low, but I was just attempting to get any steps
done. I do have a RST1 file, but I don't believe it is even attempting
to read it yet since I get the same output with and without havimg the
RST1 file accessible or not.

 

If I remove the restraint namelist info, the MD runs fine. So, I am
thinking it must be in the namelist for the restraints, but I cannot
seem to locate what the problem is. Can someone take a cursory look at
my input file to see if I am doing something obviously incorrect? I
would greatly appreciate it.

 

 

Thanks, Steve

 

 

 




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Received on Sun Jan 21 2007 - 06:07:41 PST
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