[gmx-users] large force on an atom

Samik Bhattacharya samikbhat at yahoo.co.in
Tue Jul 21 15:45:46 CEST 2009

hi, i'm simulating a membrane protein in DPPC bilayer. here i'm using inflategro perl script. just after the first run when i'm running grompp to minimize it i have found a large force on a phenylalanin atom which is well over 



Now what to do with this one?  I had a view of that particular atom through
pymol which is an Oxygen (CO). Right now I’m a little anxious that if I keep
this and go on it’ll affect the future steps. Any suggestions regarding this
will be very encouraging.
Thank You

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