[gmx-users] grompp Problem

[Itamar Kass]

    Hi Ankur, I guess the problem is that you have more then one group  
in your system.  If you have (for example) three groups, you need to  
write in your mdp file:

tau_t          =  0.1	 0.1       0.1
tc-grps	=  Protein  Sol       Ion
ref_t           =  310	 310      310


               Itamar.


On Dec 29, 2003, at 1:30 PM, ankur gupta wrote:

> Dear Gromacs Users,
>
> While running the command grompp I am getting this error
>
> Fatal error: Not enough ref_t and tau_t values!
>
> I have changed the value of ref_t and tau_t values in full.mdp file but
> still getting this error. Please help me. I will appreciate any  
> comment.
> Thanks
>
> Ankur Gupta
>
>
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===========================================
| Itamar Kass
| The Alexander Silberman
| Institute of Life Sciences
| Department of Biological Chemistry
| The Hebrew University, Givat-Ram
| Jerusalem, 91904, Israel
| Tel: +972-(0)2-6585146
| Fax: +972-(0)2-6584329
| Email: ikass at cc.huji.ac.il
| Homepage:  
http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html
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