AMBER: minimization + simulation

From: deepti nayar <>
Date: Fri, 30 Mar 2007 13:24:03 +0530

hi amber users

I am minimizing a dipeptide containing phe-dehydrophe. when i dont
give nmropt=1 in the file, it runs but whn i add nmropt=1 to my file, it gives the following error in the output file

Begin reading energy term weight changes/NMR restraints
 ERROR: No "wt" namelist with TYPE=END found

I am not very clear wit all the parameters here. I have to carry out
minimization first and then simulation in which few atoms are
restrained. In pg 199 of amber9, there is given a script, but i xcant
make out the command to run it as i have to do the minimization first.
I am attaching my filw which is giving errors.

please help me as I am new to this thing. Any sugguestions are welcome


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Received on Sun Apr 01 2007 - 06:07:36 PDT
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