[gmx-users] MD simulation of Glycoproteion

[Mark Abraham]

On 15/12/2011 1:05 PM, ??? wrote:
> Dear gromacs users
>      I used Gromacs in order to get a MD simulation of 
> Glycoproteion.now I have got the Glycoproteion's PDB file,When I want 
> to MD by GMX,it gave a Warnning:Fatal error: Residue "...."not found 
> in residue topology database.

So check out 
http://www.gromacs.org/Documentation/Errors#Residue_'XXX'_not_found_in_residue_topology_database 
like it probably suggested.

> And I know it was because of the force field,I want to know which 
> force field should be choose in GMX,And where I can get the force 
> field?? /Any suggestions?
> / That's all.

Your literature searching for similar published work should probably 
have suggested some good options.

Mark
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