[gmx-users] Doubt in nmol tool

Sundari sundi6170 at gmail.com
Mon Apr 8 11:06:04 CEST 2019


Dear Gromacs users,

Can anyone explain about -nmol (number of molecules ) option in gmx gyrate
tool. According to me I have 3 peptide chains in my simulation box and I am
using " -nmol  3".
Is it correct what I have used for this option?

Regards
Sundari


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