[gmx-users] NVT .gro for NPT

maggin maggin.chen at gmail.com
Mon Jun 17 07:28:26 CEST 2013

Hi, all

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


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!


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