[gmx-users] NVT .gro for NPT

[maggin]

Hi, all

I run a small peptide, and after NVT, I got the XXX.gro file like this,

<http://gromacs.5086.x6.nabble.com/file/n5009205/next6_gro.bmp> 

because the peptide not at the center of box, I use this .gro to run NPT, if
it reasonable?

If it's not good, how can I avoid such phenomenon?

Thank you very much!

maggin



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