[gmx-users] Ions topology

Ankita naithani ankitanaithani at gmail.com
Tue Aug 14 12:28:59 CEST 2012


Dear Mark,

Thank you for your reply.

I am using gromos53a6 force field.

On Tue, Aug 14, 2012 at 11:16 AM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> On 14/08/2012 7:45 PM, Ankita naithani wrote:
>>
>> Dear All,
>>
>> I wanted to ask that from where can I get the topologies and
>> co-ordinate information for Mg and K ions? For the ligands, I could
>> get it from PRODRG software as suggested in the tutorial but my
>> protein needs the crucial ions Mg and K before I can begin with my
>> simulations.
>
>
> Availability depends on the force field, so start looking in its files
> distributed by GROMACS.
>
> Mark
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-- 
Ankita Naithani



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