[gmx-users] Re: Implicit solvent problems

[liaoxyi]

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

thegb_dielectric_offsetactually plays ?

 

Kiara

 
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