[gmx-users] Crashed run

[Shi Wenxiong (Dr)]

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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From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of shiva birgani [sh.birgani at gmail.com]
Sent: Monday, December 06, 2010 3:16 PM
To: gmx-users
Subject: [gmx-users] Crashed run

Dear Justin
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
trjcat -s md2.tpr -settime
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.
Could you please help me in this regard?
thanks in advance
Shiva


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