On 14/10/2011 12:38 AM, liaoxyi wrote:
Dear all,
Thank you for giving me some hints for my problems.
The problems has been solved now, the key is
to adjust the gb_dielectric_offset to a smaller value like 0.05,
then the /minimization /gets going normally.
You should use the value recommen
Dear all,
Thank you for giving me some hints for my problems.
The problems has been solved now, the key is
to adjust the gb_dielectric_offset to a smaller value like 0.05，
then theminimizationgets going normally.
Subsequently, the NVT goes well.
Still, I don’t quite understand what role
theg
2 matches
Mail list logo
