AMBER Archive (2004)

Subject: Re: AMBER: convert restart to mdcrd?

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Mon Feb 02 2004 - 10:07:49 CST

Are you sure that ptraj cannot do that? As far as I know it can. But I
might be wrong also since I have never such problems. At least in the
documentation of ptraj it states that it takes .rst files as input.
Correct me if I am wrong...
Vlad

Dr. Yong Duan wrote:

>Karin,
>
>That's quite unfortunate.
>mdcrd contains many snapshots and there is no way that can be recreated
>from restart file. I am afraid you need to rerun the simulation.
>
>Good luck!
>
>yong
>
>On Mon, 2 Feb 2004, Karin Schleinkofer wrote:
>
>
>
>>Dear all!
>>
>>Unfortunately I lost my mdcrd file.
>>Is it possible to recover/convert the mdcrd from the restart file?
>>
>>Thanks very much
>>Karin
>>
>>
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-- 
Vlad Cojocaru 
Max Planck Institute for Biophysical Chemistry 
Department: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1327 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
home tel: ++49-551-9963204  

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