[gmx-users] re: Using table and Buckingham potential simultaneously

[Pavan K. Naicker]

Dear Users

I was wondering if it is possible to use a table for a particular pair 
interaction and then use a Buckingham potential for the remaining pair 
interactions.

How would one construct the topology file for this.

Thanks in advance

Pavan Naicker





On Wednesday, June 9, 2004, at 11:05 AM, Albert Sun wrote:

> Hi, Dear users,
>  
> I tried to run 
> genconf -f 1729a.gro -o aftergenconf.gro -nbox 2 2 2 -dist 10 10 10
>
> (1729a.gro is a file containing 1729 atoms)
>
> The above command makes my computer continue running and never stop, 
> what is the problem?
>
> Appreciate if you could advise.
>
> Thanks and regards,
>
> Sun
>
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