[gmx-users] Crashed run

[Mark Abraham]

On 12/06/10, "Shi Wenxiong (Dr)"  <WXSHI at ntu.edu.sg> wrote:
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> I think you can use the command "trjcat -f MD1.xtc MD2.xtc -o MD.xtc", you will get one xtc data.
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Indeed, or  circumvent the problem with appropriate use of mdrun -append


Mark

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> From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of shiva birgani [sh.birgani at gmail.com]
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> Sent: Monday, December 06, 2010 3:16 PM
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> To: gmx-users
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> Subject: [gmx-users] Crashed run
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> Dear Justin
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> I had a crashed run and continued it by tpbconv and mdrun. After that in order to analysis the results of new MD run I used of this command
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> trjcat -s md2.tpr -settime 
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> But when I want to compute RMSD, DSSP, ... I do not know how I can put together the results of MD1 (crashed run) and MD2 (continued one) to have the homogeneous results.
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> Could you please help me in this regard?
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> thanks in advance
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> Shiva
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