[gmx-users] charge on protein
hkasnane at hytti.uku.fi
Sun Jan 23 17:15:36 CET 2005
how about adding some counter ions to your solvent box? This could be
done with gromacs tool called genion.
> hello users
> i m new to gromacs can anyone tell me it is advisable to simulate protein with high charge.does it effect reliablity of the dyanamics. if yes what is a proper method to reduce the charge. i m getting waring for a non zero charge of -15.000e during processing protein file.
> thanks in advance
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