[gmx-users] tpr of extend simulation

maggin maggin.chen at gmail.com
Fri May 24 08:25:39 CEST 2013

 Hi, I run MD production 10ns, and get file: md_0_1.trr, md_0_1.tpr

but simulation time is not enough, so I extend the time to 20ns, 
tpbconv -s md_0_1.tpr  -extend 10000  -o md_0_1_next1.tpr
and get file:  traj.trr, md_0_1_next1.tpr

trajectory cconnection : trjcat -f md_0_1.trr traj.trr -o traj_all_md.trr

So, I have a question when I analysis trajectory use g_hbond

g_hbond -f traj_all_md.trr -s md_0_1_next1.tpr -num bovin_hnum.xvg 

at here I use md_0_1_next1.tpr,  if is it right ?  I have some not sure

Thank you!

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