[gmx-users] Re: Implicit solvent problems

liaoxyi liaoxyi at 163.com
Thu Oct 13 15:38:26 CEST 2011

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 ?



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