From: Wei Zhuang (wzhuang_at_uci.edu)
Date: Thu Oct 27 2005 - 16:56:55 CDT
Hi,all:
I was trying to run a restrained-dihedralangle simulation, I put this paragraph in the .conf:
*****************************
freeEnergy on
freeEnergyConfig {
urestraint {
dihe (TRZ4,1,C) (TRZ4,2,N) ( TRZ4,2,CA) (TRZ4,2,C) barr=2000.0 ref=-155.40
}
}
********************************
the script went through with no problem, but when I checked the output pdb file, it seems like there is no constraint at all, could anybody give me some help about what is going on here?
Wei
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