[Xplor-nih] vdw violations
Lei Shi
lshi at chem.umn.edu
Fri May 18 10:51:58 EDT 2007
Dear Xplor users,
I have been struggling in refining a protein. However, I
have problems with vdw violations. I usually ended up with around 40
vdw violations. It is probably violated to satisfy other potentials.
I tried use all atom vdW interaction instead of CA atom only (high
vdw interaction). I also tried to increase the weight of vdW ( result
in poor sampling).
I hope to get any suggestions so that I can solve this
problem.
Thanks,
Lei
More information about the Xplor-nih
mailing list