回复:Re: [gmx-users] potential energy of specific group

[Yang Ye]

this is elegant and "green"! =)

On 8/6/2007 5:57 PM, Mark Abraham wrote:
> Yang Ye wrote:
>   
>> You can modify your original top's [ molecules ] section to make it only
>> contains the protein.
>>     
>
> Or use one of the modes of tpbconv.
>
> Mark
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