AMBER Archive (2007)

Subject: AMBER: restraint_wt and fixing chi

From: deepti nayar (deepti.icgeb_at_gmail.com)
Date: Thu May 10 2007 - 05:44:40 CDT

hi all

Thank you for all the help. I am able to restrain atom movement now. I just
wanted to know what is tha maximum value of restraint_wt that can be applied
in amber9? Is there any limit to it?

Also, I would be grateful if somebody can tell me how to fix angles at
partiuclar values. like if i want to set chi to some value. I searched the
amber mail archive and I gues i have to input file during the simulations. I
am attaching my simulation script along. Please let me know if i am
proceeding the right way.

with regards
deepti



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