How about *not* using the -O flag in the sander command line?
Gustavo.
On Monday, August 2, 2010, Rilei Yu <yulaomao1983.yahoo.com.cn> wrote:
> Dear amber users,
>
> Do anyone has such painful experience? When you spend several weeks to finish your MD, and try to analysis the trajectory. You may replace your MD trajectory file by a mistake! For example, re-submit a job that has been done before. As a result, you have to re-do this job again!
>
> In fact, I have done this for several times. Prior to using amber, I used Gromacs which can well deal with this problem. Currently, when I use amber, I often make such mistake. Can anyone give some suggestions or do more to further improve this distinguished program?
>
> Best wishes,
>
> Rilei Yu
--
Gustavo Seabra
Professor Adjunto
Departamento de Química Fundamental
Universidade Federal de Pernambuco
Fone: +55-81-2126-7417
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Received on Mon Aug 02 2010 - 18:30:03 PDT
