[讨论交流] do the minimization 相关搜索: minimization

yutian

I'm trying to do the minimization for a protein and keep
getting Warning: Bad global exclusion count, possible error!
Warning: Increasing cutoff during minimization may avoid this.
Does anyone know what this means?

[ 本帖最后由 chenjung0825 于 2008-7-22 21:39 编辑 ]

homeboy

It may be caused by calculations under periodic boundary condition as  one atom leaves one side of box then it appears in the box from the opposite side, so bond constraints are broken.

yutian

那么应该怎么解决呢，改变周期性边界条件？

cuihang

英语都不错啊

stevenyubin

出现这个问题应该怎么解决呢？