[gmx-users] genion error

Yang Ye leafyoung81-group at yahoo.com
Mon Jan 16 13:15:16 CET 2006

As a repeating theme of this list, again, it is not recommended to only 
couple a few atoms. Just use two groups: Protein and Rest for t-coupling.

bharat at sscu.iisc.ernet.in wrote:
>> Please let me know what values of ref_t and tau_t is appropriate for
>> this calculation. And any other points to correct.
> i think, u have to use one more column telling ref_t and tau_t for 
> ions, as shown below
> ref_t               =3D  300 300 300
> tau_t               =3D  0.1 0.1 0.1
> bharat
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Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Tel: 6316-2884

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