AMBER: Re: REAMBER: the problem of mdcrd

From: Carlos Simmerling <carlos.ilion.bio.sunysb.edu>
Date: Tue, 17 Jan 2006 07:56:58 -0500

look in the manual at the ptraj "center" command.

xiphias xie wrote:
>> 1) You initial coordinates are a long way from the
>> the origin. Create a pdb
>> file from the inpcrd file and see what you get for
>> the typical coordinate
>> range. If your initial system is a close to
>> exceeding the limit then try
>> using ptraj to recenter this coordinates and create
>> a new inpcrd file.
>>
> How can i use ptraj to recenter coordinates ?
> like this ?
> trajin *.inpcrd
> trajout *.inpcrd
>
> thanks in advance!
>
>
>
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Received on Wed Jan 18 2006 - 06:10:07 PST
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