[gmx-users] Extending Simnulation - how analyze?

[Andrea Spinelli]

Hi,
I’m new user of Gromacs and I need extend a simulation of 1000ps.
On Gromacs 5.0.5 I use this command line as tutorial said.

gmx convert-tpr -s md_0_1.tpr -extend 1000 -o md_0_2.tpr
gmx mdrun -v -s md_0_2.tpr -cpi md_0_1.cpt -append

It produced the md_0_2.tpr , but when I run rms command to watch the state of RMSD, it show only first 1000 ps, not from 0 to 2000 ps. Why? 
What is the command I have to use?

to view rmds I use this command line:
gmx rms -s md_0_2.tpr -f md_0_1.xtc -o rmsd.xvg

Thanks a lot.


Andrea Spinelli

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