[gmx-users] about the frame selection

[Anirban]

On Tue, May 15, 2012 at 11:48 AM, rama david <ramadavidgroup at gmail.com>wrote:

>
> Thank you ANIRBAN for your reply ..
>
>
>> I think its better to remove the periodicity when you are going to start
>> a fresh simulation with this protein.
>>   Could you told me how to remove the periodicity ???
>>
>
You can use trjconv with "-pbc mol -ur compact" options. But first look
into trjconv -h

-Anirban

>
>
>>
>>> Thank you in advance ...
>>
>>
>
>>
>>
>
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