[gmx-users] need help

Mark Abraham Mark.Abraham at anu.edu.au
Mon May 23 11:15:33 CEST 2011


On 23/05/2011 6:57 PM, rashi parihar wrote:
>
> Hi all
> I have an ligand having NI atom(Nickel) .Now problem is this when I am 
> running PRODRG server ,ligand topology can not be created and error is 
> coming
> *unsupported atom type NI (atom 'NI2 ') in your coordinates*.now how to overcome this problem? plz help me!!

See http://www.gromacs.org/Documentation/How-tos/Parameterization

Mark
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