[gmx-users] Protein is having non-integral charge

sonali dhindwal sonali11dhindwal at yahoo.co.in
Wed Apr 7 08:03:52 CEST 2010

Hello All
I am using gromacs for simulating my protein I got after homology modelling.
While doing this when I get toplogy file by using 
0: GROMOS96 43a1 force field 
topology file I am getting has most of the residues having non-integral charge.
Can someone help in this.
As far as I searched for this, it is written that the charge should be integer.
Please help

Sonali Dhindwal

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