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
- [Xplor-nih] vdw violations Lei Shi
