hi amber users
I am minimizing a dipeptide containing phe-dehydrophe. when i dont
give nmropt=1 in the min.in file, it runs but whn i add nmropt=1 to my
min.in file, it gives the following error in the output file
Begin reading energy term weight changes/NMR restraints
WEIGHT CHANGES:
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 min.in filw which is giving errors.
please help me as I am new to this thing. Any sugguestions are welcome
thanks
deepti
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
- application/octet-stream attachment: min.in
Received on Sun Apr 01 2007 - 06:07:36 PDT
